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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14-7-9-18(10-8-14)23-20(24)15(2)27-21(25)17(13-22)11-16-5-4-6-19(12-16)26-3/h4-12,15H,1-3H3,(H,23,24)/b17-11+/t15-/m0/s1