diethyl 5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carbonyl]oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carbonyl]oxybutanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carbonyl]oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C32H31ClN2O8S MolecularWeight: 639.11514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C32H31ClN2O8S/c1-6-22(27(36)34-28-23(30(38)41-7-2)17(4)26(44-28)32(40)42-8-3)43-31(39)25-24(18-13-15-19(33)16-14-18)20-11-9-10-12-21(20)29(37)35(25)5/h9-16,22H,6-8H2,1-5H3,(H,34,36)