methyl 3-[(4-methylphenyl)sulfonylcarbamoylsulfanyl]propanoate

Systemtic Name: methyl 3-[(4-methylphenyl)sulfonylcarbamoylsulfanyl]propanoate Openeye Name: methyl 3-(p-tolylsulfonylcarbamoylsulfanyl)propanoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)sulfonylcarbamoylsulfanyl]propanoate Traditional Name: 3-(tosylcarbamoylthio)propionic acid methyl ester Formula: C12H15NO5S2 MolecularWeight: 317.3812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)SCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)SCCC(=O)OC

InChI

InChI=1S/C12H15NO5S2/c1-9-3-5-10(6-4-9)20(16,17)13-12(15)19-8-7-11(14)18-2/h3-6H,7-8H2,1-2H3,(H,13,15)