[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H21NO3S/c1-14-4-9-17(10-5-14)21-20(23)15(2)24-19(22)13-8-16-6-11-18(25-3)12-7-16/h4-13,15H,1-3H3,(H,21,23)/b13-8+/t15-/m0/s1