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

Systemtic Name: diethyl 3-methyl-5-[2-[2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C33H34N2O8S MolecularWeight: 618.69666

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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=C(C=C4)C

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=C(C=C4)C

InChI

InChI=1S/C33H34N2O8S/c1-7-23(28(36)34-29-24(31(38)41-8-2)19(5)27(44-29)33(40)42-9-3)43-32(39)26-25(20-16-14-18(4)15-17-20)21-12-10-11-13-22(21)30(37)35(26)6/h10-17,23H,7-9H2,1-6H3,(H,34,36)