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

Systemtic Name: diethyl 5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carbonyl]oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carbonyl]oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carbonyl]oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H27ClN2O8S MolecularWeight: 611.06198

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H27ClN2O8S/c1-5-39-28(36)22-16(3)25(30(38)40-6-2)42-26(22)32-21(34)15-41-29(37)24-23(17-11-13-18(31)14-12-17)19-9-7-8-10-20(19)27(35)33(24)4/h7-14H,5-6,15H2,1-4H3,(H,32,34)