(2-cyano-6-ethanoyl-3,4-dimethyl-phenyl) thiophene-2-carboxylate

Systemtic Name: (2-cyano-6-ethanoyl-3,4-dimethyl-phenyl) thiophene-2-carboxylate Openeye Name: (6-acetyl-2-cyano-3,4-dimethyl-phenyl) thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (6-acetyl-2-cyano-3,4-dimethylphenyl) ester IUPAC Name: (6-acetyl-2-cyano-3,4-dimethylphenyl) thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (6-acetyl-2-cyano-3,4-dimethyl-phenyl) ester Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)C)OC(=O)C2=CC=CS2)C#N)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)C)OC(=O)C2=CC=CS2)C#N)C

InChI

InChI=1S/C16H13NO3S/c1-9-7-12(11(3)18)15(13(8-17)10(9)2)20-16(19)14-5-4-6-21-14/h4-7H,1-3H3