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

Systemtic Name: ethyl 4-cyano-5-[3-cyano-2-oxidanylidene-4-(1,2,5-triphenylpyrrol-3-yl)but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-2-oxo-4-(1,2,5-triphenylpyrrol-3-yl)but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-2-oxo-4-(1,2,5-triphenyl-3-pyrrolyl)but-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-2-oxo-4-(1,2,5-triphenylpyrrol-3-yl)but-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-(1,2,5-triphenylpyrrol-3-yl)but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C36H27N3O3S MolecularWeight: 581.68288

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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=CC=C4)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=CC=C4)C5=CC=CC=C5)C#N)C#N)C

InChI

InChI=1S/C36H27N3O3S/c1-3-42-36(41)35-24(2)30(23-38)33(43-35)21-32(40)28(22-37)19-27-20-31(25-13-7-4-8-14-25)39(29-17-11-6-12-18-29)34(27)26-15-9-5-10-16-26/h4-20H,3,21H2,1-2H3