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

Systemtic Name: methyl 2-[(4-methylphenyl)methylamino]-3-sulfanyl-propanoate Openeye Name: methyl 2-(p-tolylmethylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[(4-methylphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)methylamino]-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-[(4-methylbenzyl)amino]propionic acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c1-9-3-5-10(6-4-9)7-13-11(8-16)12(14)15-2/h3-6,11,13,16H,7-8H2,1-2H3