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

Systemtic Name: diethyl 5-[3-cyano-4-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C)C)C#N

InChI

InChI=1S/C29H30N2O5S/c1-7-35-28(33)26-19(5)27(29(34)36-8-2)37-25(26)15-24(32)22(16-30)14-21-13-18(4)31(20(21)6)23-11-9-10-17(3)12-23/h9-14H,7-8,15H2,1-6H3