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

Systemtic Name: [(2S)-1-methoxy-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: [(1S)-2-methoxy-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid [(2S)-1-methoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-methoxy-1-oxopropan-2-yl] (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid [(1S)-2-keto-2-methoxy-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)OC(C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)O[C@@H](C)C(=O)OC

InChI

InChI=1S/C21H22N2O5/c1-13-10-16(11-17(12-22)21(25)28-15(3)20(24)27-5)14(2)23(13)18-6-8-19(26-4)9-7-18/h6-11,15H,1-5H3/b17-11+/t15-/m0/s1