O2-ethyl O4-methyl 3-methyl-5-[2-[2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-[2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[2-[2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carbonyl]oxybutanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[[2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[2-[2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carbonyl]oxybutanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[2-[1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carbonyl]oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl 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)OC)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

InChI

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