methyl 6-(2-methoxyphenyl)sulfinyl-3-oxidanylidene-6-phenyl-cyclohexene-1-carboxylate

Systemtic Name: methyl 6-(2-methoxyphenyl)sulfinyl-3-oxidanylidene-6-phenyl-cyclohexene-1-carboxylate Openeye Name: methyl 6-(2-methoxyphenyl)sulfinyl-3-oxo-6-phenyl-cyclohexene-1-carboxylate CAS Name: 6-(2-methoxyphenyl)sulfinyl-3-oxo-6-phenyl-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-methoxyphenyl)sulfinyl-3-oxo-6-phenylcyclohexene-1-carboxylate Traditional Name: 3-keto-6-(2-methoxyphenyl)sulfinyl-6-phenyl-cyclohexene-1-carboxylic acid methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)C2(CCC(=O)C=C2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1S(=O)C2(CCC(=O)C=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H20O5S/c1-25-18-10-6-7-11-19(18)27(24)21(15-8-4-3-5-9-15)13-12-16(22)14-17(21)20(23)26-2/h3-11,14H,12-13H2,1-2H3