methyl (2S)-2-[(4-methylphenyl)amino]-2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)amino]-2-(phenylmethylsulfanyl)ethanoate Openeye Name: methyl (2S)-2-benzylsulfanyl-2-(4-methylanilino)acetate CAS Name: (2S)-2-(4-methylanilino)-2-(phenylmethylthio)acetic acid methyl ester IUPAC Name: methyl (2S)-2-benzylsulfanyl-2-(4-methylanilino)acetate Traditional Name: (2S)-2-(benzylthio)-2-(p-toluidino)acetic acid methyl ester Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C(=O)OC)SCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)N[C@H](C(=O)OC)SCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO2S/c1-13-8-10-15(11-9-13)18-16(17(19)20-2)21-12-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1