diethyl 5-[3-cyano-4-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[1-[(4-nitrophenyl)methyl]-3-indolyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-[1-(4-nitrobenzyl)indol-3-yl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H27N3O7S MolecularWeight: 585.62698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C31H27N3O7S/c1-4-40-30(36)28-19(3)29(31(37)41-5-2)42-27(28)15-26(35)21(16-32)14-22-18-33(25-9-7-6-8-24(22)25)17-20-10-12-23(13-11-20)34(38)39/h6-14,18H,4-5,15,17H2,1-3H3