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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-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-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-15-5-9-19(10-6-15)24-21(26)16(2)28-22(27)18(14-23)13-17-7-11-20(12-8-17)25(3)4/h5-13,16H,1-4H3,(H,24,26)/b18-13+/t16-/m0/s1