ethyl 4-cyano-5-[3-cyano-4-[1-(4-methylphenyl)-2,5-diphenyl-pyrrol-3-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-[1-(4-methylphenyl)-2,5-diphenyl-pyrrol-3-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-[2,5-diphenyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-[1-(4-methylphenyl)-2,5-diphenyl-3-pyrrolyl]-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-4-[2,5-diphenyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C37H29N3O3S MolecularWeight: 595.70946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C5=CC=CC=C5)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C5=CC=CC=C5)C#N)C#N)C

InChI

InChI=1S/C37H29N3O3S/c1-4-43-37(42)36-25(3)31(23-39)34(44-36)21-33(41)29(22-38)19-28-20-32(26-11-7-5-8-12-26)40(30-17-15-24(2)16-18-30)35(28)27-13-9-6-10-14-27/h5-20H,4,21H2,1-3H3