O-propan-2-yl [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-(4-methylsulfonylanilino)-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-(4-methylsulfonylanilino)-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-(4-mesylanilino)ethyl]thio]methanethioic acid O-isopropyl ester Formula: C13H17NO4S3 MolecularWeight: 347.47338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=S)SCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C13H17NO4S3/c1-9(2)18-13(19)20-8-12(15)14-10-4-6-11(7-5-10)21(3,16)17/h4-7,9H,8H2,1-3H3,(H,14,15)