Ethyl 2-[[2-[2-[1-[4-(3-methylbenzoyl)oxyphenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Update Time: 2025-04-25 16:51:01

	Common Name	Ethyl 2-[[2-[2-[1-[4-(3-methylbenzoyl)oxyphenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate	English Name	Ethyl 2-[[2-[2-[1-[4-(3-methylbenzoyl)oxyphenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
	CAS NO.	N/A	Molecular Weight	547.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₉H₂₉N₃O₆S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	Ethyl 2-[[2-[2-[1-[4-(3-methylbenzoyl)oxyphenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C29H29N3O6S
Molecular Weight	547.6
Exact Mass	547.17770683
LogP	6.50
Standard SMILES	CCOC(=O)c1c(NC(=O)C(=O)NN=C(C)c2ccc(OC(=O)c3cccc(C)c3)cc2)sc2c1CCCC2
Canonical SMILES	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NN=C(C)C3=CC=C(C=C3)OC(=O)C4=CC=CC(=C4)C
Isomeric SMILES	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NN=C(C)C3=CC=C(C=C3)OC(=O)C4=CC=CC(=C4)C
Standard InChI Identifier	InChI=1S/C29H29N3O6S/c1-4-37-29(36)24-22-10-5-6-11-23(22)39-27(24)30-25(33)26(34)32-31-18(3)19-12-14-21(15-13-19)38-28(35)20-9-7-8-17(2)16-20/h7-9,12-16H,4-6,10-11H2,1-3H3,(H,30,33)(H,32,34)
Standard InChI Key	DRSYSXVCCJNPDZ-UHFFFAOYSA-N
Compound Complexity	934.00
computational chemistry	Hydrogen Bond Acceptor Count：8 Hydrogen Bond Donor Count：2 Rotatable Bond Count：9 Heavy Atom Count：39 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：1 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：547.17770683