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

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(=CC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)/C(=C/C2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C22H21NO3/c1-4-17-9-11-19(12-10-17)21(24)16(3)26-22(25)20(14-23)13-18-7-5-15(2)6-8-18/h5-13,16H,4H2,1-3H3/b20-13+/t16-/m0/s1