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

Systemtic Name: diethyl 3-methyl-5-[2-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbonyloxyethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(2-methyl-1-oxo-4-phenyl-isoquinoline-3-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-oxomethoxy]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(2-methyl-1-oxo-4-phenylisoquinoline-3-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1-keto-2-methyl-4-phenyl-isoquinoline-3-carbonyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H28N2O8S MolecularWeight: 576.61692

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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=CC=C4

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=CC=C4

InChI

InChI=1S/C30H28N2O8S/c1-5-38-28(35)22-17(3)25(30(37)39-6-2)41-26(22)31-21(33)16-40-29(36)24-23(18-12-8-7-9-13-18)19-14-10-11-15-20(19)27(34)32(24)4/h7-15H,5-6,16H2,1-4H3,(H,31,33)