ethyl 6,6-dimethyl-4-oxidanylidene-3-(phenylmethylsulfanyl)-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 6,6-dimethyl-4-oxidanylidene-3-(phenylmethylsulfanyl)-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-(benzylthio)-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C20H22O3S2 MolecularWeight: 374.51688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCC3=CC=CC=C3)(C)C

Isomeric SMILES

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C20H22O3S2/c1-4-23-18(22)17-14-10-20(2,3)11-15(21)16(14)19(25-17)24-12-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3