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

Systemtic Name: diethyl 5-[4-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H27BrN2O5S MolecularWeight: 583.49338

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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=C(C=C3)Br)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=C(C=C3)Br)C)C#N

InChI

InChI=1S/C28H27BrN2O5S/c1-6-35-27(33)25-17(4)26(28(34)36-7-2)37-24(25)14-23(32)20(15-30)13-19-12-16(3)31(18(19)5)22-10-8-21(29)9-11-22/h8-13H,6-7,14H2,1-5H3