[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-15(17-6-4-3-5-7-17)21-19(22)14-24-20(23)13-10-16-8-11-18(25-2)12-9-16/h3-13,15H,14H2,1-2H3,(H,21,22)/b13-10+/t15-/m0/s1