ethyl 4-cyano-5-[3-cyano-4-[1-(4-nitrophenyl)-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-nitrophenyl)-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-[1-(4-nitrophenyl)-2,5-diphenyl-pyrrol-3-yl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-[1-(4-nitrophenyl)-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-nitrophenyl)-2,5-diphenylpyrrol-3-yl]-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-[1-(4-nitrophenyl)-2,5-diphenyl-pyrrol-3-yl]but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C36H26N4O5S MolecularWeight: 626.68044

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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)[N+](=O)[O-])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)[N+](=O)[O-])C5=CC=CC=C5)C#N)C#N)C

InChI

InChI=1S/C36H26N4O5S/c1-3-45-36(42)35-23(2)30(22-38)33(46-35)20-32(41)27(21-37)18-26-19-31(24-10-6-4-7-11-24)39(34(26)25-12-8-5-9-13-25)28-14-16-29(17-15-28)40(43)44/h4-19H,3,20H2,1-2H3