methyl 2-[methyl-(4-methylphenyl)amino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[methyl-(4-methylphenyl)amino]-3-sulfanyl-propanoate Openeye Name: methyl 2-(N,4-dimethylanilino)-3-sulfanyl-propanoate CAS Name: 2-(N,4-dimethylanilino)-3-mercaptopropanoic acid methyl ester IUPAC Name: methyl 2-(N,4-dimethylanilino)-3-sulfanylpropanoate Traditional Name: 2-(N,4-dimethylanilino)-3-mercapto-propionic acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C(CS)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C(CS)C(=O)OC

InChI

InChI=1S/C12H17NO2S/c1-9-4-6-10(7-5-9)13(2)11(8-16)12(14)15-3/h4-7,11,16H,8H2,1-3H3