ethyl 4-cyano-5-[3-cyano-4-(4-methylphenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-(4-methylphenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-2-oxo-4-(p-tolyl)but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-(p-tolyl)but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-4-26-21(25)20-14(3)17(12-23)19(27-20)10-18(24)16(11-22)9-15-7-5-13(2)6-8-15/h5-9H,4,10H2,1-3H3