methyl 2-[(4-methylphenyl)sulfonylamino]-3-(methylsulfanylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]-3-(methylsulfanylmethylsulfanyl)propanoate Openeye Name: methyl 3-(methylsulfanylmethylsulfanyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-[(methylthio)methylthio]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylamino]-3-(methylsulfanylmethylsulfanyl)propanoate Traditional Name: 3-[(methylthio)methylthio]-2-(tosylamino)propionic acid methyl ester Formula: C13H19NO4S3 MolecularWeight: 349.48926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S3/c1-10-4-6-11(7-5-10)21(16,17)14-12(13(15)18-2)8-20-9-19-3/h4-7,12,14H,8-9H2,1-3H3