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

Systemtic Name: diethyl 3-methyl-5-[2-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbonyloxybutanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-(2-methyl-1-oxo-4-phenyl-isoquinoline-3-carbonyl)oxybutanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-oxomethoxy]-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-(2-methyl-1-oxo-4-phenylisoquinoline-3-carbonyl)oxybutanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[2-(1-keto-2-methyl-4-phenyl-isoquinoline-3-carbonyl)oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C32H32N2O8S MolecularWeight: 604.67008

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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=CC=C4

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=CC=C4

InChI

InChI=1S/C32H32N2O8S/c1-6-22(27(35)33-28-23(30(37)40-7-2)18(4)26(43-28)32(39)41-8-3)42-31(38)25-24(19-14-10-9-11-15-19)20-16-12-13-17-21(20)29(36)34(25)5/h9-17,22H,6-8H2,1-5H3,(H,33,35)