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

Systemtic Name: diethyl 5-[3-cyano-4-[1-(3-nitrophenyl)pyrrol-2-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[1-(3-nitrophenyl)pyrrol-2-yl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[1-(3-nitrophenyl)-2-pyrrolyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[1-(3-nitrophenyl)pyrrol-2-yl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-[1-(3-nitrophenyl)pyrrol-2-yl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H23N3O7S MolecularWeight: 521.54172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=CN2C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=CN2C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C26H23N3O7S/c1-4-35-25(31)23-16(3)24(26(32)36-5-2)37-22(23)14-21(30)17(15-27)12-18-10-7-11-28(18)19-8-6-9-20(13-19)29(33)34/h6-13H,4-5,14H2,1-3H3