[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-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-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-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-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C(=CC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N

InChI

InChI=1S/C22H22N2O5/c1-12-19(14(3)25)13(2)24-20(12)21(26)15(4)29-22(27)17(11-23)9-16-7-6-8-18(10-16)28-5/h6-10,15,24H,1-5H3/b17-9+/t15-/m0/s1