ethyl (4S)-5-cyano-2-methyl-6-pyrrol-1-yl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-6-pyrrol-1-yl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-6-pyrrol-1-yl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-(1-pyrrolyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-6-pyrrol-1-yl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-6-pyrrol-1-yl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N2O3/c1-3-28-20(27)17-13(2)29-19(26-10-4-5-11-26)16(12-25)18(17)14-6-8-15(9-7-14)21(22,23)24/h4-11,18H,3H2,1-2H3/t18-/m0/s1