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

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO3/c1-14-3-10-18(11-4-14)20(23)15(2)24-19(22)12-9-16-5-7-17(13-21)8-6-16/h3-12,15H,1-2H3/b12-9+/t15-/m0/s1