S-methyl 3-(4-methylphenyl)-2-(phenylsulfonyl)propanethioate

Systemtic Name: S-methyl 3-(4-methylphenyl)-2-(phenylsulfonyl)propanethioate Openeye Name: S-methyl 2-(benzenesulfonyl)-3-(p-tolyl)propanethioate CAS Name: 2-(benzenesulfonyl)-3-(4-methylphenyl)propanethioic acid S-methyl ester IUPAC Name: S-methyl 2-(benzenesulfonyl)-3-(4-methylphenyl)propanethioate Traditional Name: 2-besyl-3-(p-tolyl)propanethioic acid S-methyl ester Formula: C17H18O3S2 MolecularWeight: 334.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)SC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)SC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18O3S2/c1-13-8-10-14(11-9-13)12-16(17(18)21-2)22(19,20)15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3