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

Systemtic Name: diethyl 5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]carbonyloxypropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carbonyl]oxypropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carbonyl]oxypropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carbonyl]oxypropanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H29ClN2O8S MolecularWeight: 625.08856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H29ClN2O8S/c1-6-40-29(37)22-16(3)25(31(39)41-7-2)43-27(22)33-26(35)17(4)42-30(38)24-23(18-12-14-19(32)15-13-18)20-10-8-9-11-21(20)28(36)34(24)5/h8-15,17H,6-7H2,1-5H3,(H,33,35)