[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-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-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-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-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-14-8-9-20(28-4)19(10-14)24-21(25)15(2)29-22(26)17(13-23)11-16-6-5-7-18(12-16)27-3/h5-12,15H,1-4H3,(H,24,25)/b17-11+/t15-/m0/s1