S-phenyl 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbothioate

Systemtic Name: S-phenyl 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbothioate Openeye Name: S-phenyl 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbothioate CAS Name: 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbothioate Traditional Name: 3-mesyl-6,7-dihydroisobenzothiophene-1-carbothioic acid S-phenyl ester Formula: C16H14O3S3 MolecularWeight: 350.47556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)SC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C16H14O3S3/c1-22(18,19)16-13-10-6-5-9-12(13)14(21-16)15(17)20-11-7-3-2-4-8-11/h2-4,6-8,10H,5,9H2,1H3