ethyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate CAS Name: (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(1-pyrrolyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate Traditional Name: (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)OC)C#N)N3C=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC(=C(C=C2)OC)OC)C#N)N3C=CC=C3)C

InChI

InChI=1S/C22H22N2O5/c1-5-28-22(25)19-14(2)29-21(24-10-6-7-11-24)16(13-23)20(19)15-8-9-17(26-3)18(12-15)27-4/h6-12,20H,5H2,1-4H3/t20-/m0/s1