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

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H23NO3S/c1-16(21(24)22-15-14-17-6-4-3-5-7-17)25-20(23)13-10-18-8-11-19(26-2)12-9-18/h3-13,16H,14-15H2,1-2H3,(H,22,24)/b13-10+/t16-/m0/s1