methyl 3-[(3-methylsulfonylphenyl)carbamothioylsulfanyl]propanoate

Systemtic Name: methyl 3-[(3-methylsulfonylphenyl)carbamothioylsulfanyl]propanoate Openeye Name: methyl 3-[(3-methylsulfonylphenyl)carbamothioylsulfanyl]propanoate CAS Name: 3-[[(3-methylsulfonylanilino)-sulfanylidenemethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-methylsulfonylphenyl)carbamothioylsulfanyl]propanoate Traditional Name: 3-[(3-mesylphenyl)thiocarbamoylthio]propionic acid methyl ester Formula: C12H15NO4S3 MolecularWeight: 333.4468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=S)NC1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCSC(=S)NC1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C12H15NO4S3/c1-17-11(14)6-7-19-12(18)13-9-4-3-5-10(8-9)20(2,15)16/h3-5,8H,6-7H2,1-2H3,(H,13,18)