ethyl 4-cyano-5-(3-cyano-2-oxidanylidene-4-phenyl-but-3-enyl)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-(3-cyano-2-oxidanylidene-4-phenyl-but-3-enyl)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(3-cyano-2-oxo-4-phenyl-but-3-enyl)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-(3-cyano-2-oxo-4-phenylbut-3-enyl)-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(3-cyano-2-oxo-4-phenylbut-3-enyl)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(3-cyano-2-keto-4-phenyl-but-3-enyl)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3S/c1-3-25-20(24)19-13(2)16(12-22)18(26-19)10-17(23)15(11-21)9-14-7-5-4-6-8-14/h4-9H,3,10H2,1-2H3