diethyl 5-[3-cyano-4-(2,5-dimethyl-1-pyridin-3-yl-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-pyridin-3-yl-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-(3-pyridyl)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-pyridinyl)-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-pyridin-3-ylpyrrol-3-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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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=CN=CC=C3)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5S/c1-6-34-26(32)24-17(4)25(27(33)35-7-2)36-23(24)13-22(31)20(14-28)12-19-11-16(3)30(18(19)5)21-9-8-10-29-15-21/h8-12,15H,6-7,13H2,1-5H3