ethyl 4-cyano-5-[3-cyano-2-oxidanylidene-4-(2-phenyl-1H-indol-3-yl)but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-2-oxidanylidene-4-(2-phenyl-1H-indol-3-yl)but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-2-oxo-4-(2-phenyl-1H-indol-3-yl)but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-2-oxo-4-(2-phenyl-1H-indol-3-yl)but-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-2-oxo-4-(2-phenyl-1H-indol-3-yl)but-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-(2-phenyl-1H-indol-3-yl)but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C#N)C#N)C

InChI

InChI=1S/C28H21N3O3S/c1-3-34-28(33)27-17(2)22(16-30)25(35-27)14-24(32)19(15-29)13-21-20-11-7-8-12-23(20)31-26(21)18-9-5-4-6-10-18/h4-13,31H,3,14H2,1-2H3