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

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-(1H-indol-3-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-(1H-indol-3-yl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(1H-indol-3-yl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(1H-indol-3-yl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-4-(1H-indol-3-yl)-2-keto-but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CNC3=CC=CC=C32)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CNC3=CC=CC=C32)C#N)C#N)C

InChI

InChI=1S/C22H17N3O3S/c1-3-28-22(27)21-13(2)17(11-24)20(29-21)9-19(26)14(10-23)8-15-12-25-18-7-5-4-6-16(15)18/h4-8,12,25H,3,9H2,1-2H3