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

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-ethoxyanilino)-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-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyanilino)-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-phenetidino)ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(=CC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N

InChI

InChI=1S/C22H22N2O5/c1-4-28-19-10-8-18(9-11-19)24-21(25)15(2)29-22(26)17(14-23)12-16-6-5-7-20(13-16)27-3/h5-13,15H,4H2,1-3H3,(H,24,25)/b17-12+/t15-/m0/s1