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

Systemtic Name: diethyl 3-methyl-5-[2-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbonyloxypropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-(2-methyl-1-oxo-4-phenyl-isoquinoline-3-carbonyl)oxypropanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-oxomethoxy]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-(2-methyl-1-oxo-4-phenylisoquinoline-3-carbonyl)oxypropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[2-(1-keto-2-methyl-4-phenyl-isoquinoline-3-carbonyl)oxypropanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H30N2O8S MolecularWeight: 590.6435

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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=CC=C4

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=CC=C4

InChI

InChI=1S/C31H30N2O8S/c1-6-39-29(36)22-17(3)25(31(38)40-7-2)42-27(22)32-26(34)18(4)41-30(37)24-23(19-13-9-8-10-14-19)20-15-11-12-16-21(20)28(35)33(24)5/h8-16,18H,6-7H2,1-5H3,(H,32,34)