(1-acetamido-3-sulfanylidene-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-acetamido-3-sulfanylidene-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-(acetamidomethyl)-2-thioxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-acetamido-3-sulfanylidenepropan-2-yl) ester IUPAC Name: (1-acetamido-3-sulfanylidenepropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(acetamidomethyl)-2-thioxo-ethyl] ester Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CNC(=O)C)C=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CNC(=O)C)C=S

InChI

InChI=1S/C12H15NO4S2/c1-9-3-5-12(6-4-9)19(15,16)17-11(8-18)7-13-10(2)14/h3-6,8,11H,7H2,1-2H3,(H,13,14)