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

Systemtic Name: diethyl 5-[3-cyano-4-[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[1-(4-ethoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[1-(4-carbethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H32N2O7S MolecularWeight: 576.65998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)CC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)CC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)C

InChI

InChI=1S/C31H32N2O7S/c1-7-38-29(35)21-10-12-24(13-11-21)33-18(4)14-22(20(33)6)15-23(17-32)25(34)16-26-27(30(36)39-8-2)19(5)28(41-26)31(37)40-9-3/h10-15H,7-9,16H2,1-6H3