[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H13NO3S/c1-10-6-14(11(2)21-10)15(18)9-20-16(19)13-5-3-4-12(7-13)8-17/h3-7H,9H2,1-2H3