ethyl 5-cyano-1,6-dimethyl-2-(phenylsulfinylmethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-1,6-dimethyl-2-(phenylsulfinylmethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate Openeye Name: ethyl 2-(benzenesulfinylmethyl)-5-cyano-1,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate CAS Name: 2-(benzenesulfinylmethyl)-5-cyano-1,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinylmethyl)-5-cyano-1,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate Traditional Name: 2-(benzenesulfinylmethyl)-5-cyano-1,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylic acid ethyl ester Formula: C25H23F3N2O3S MolecularWeight: 488.52193

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)C)CS(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)C)CS(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H23F3N2O3S/c1-4-33-24(31)23-21(15-34(32)17-10-6-5-7-11-17)30(3)16(2)19(14-29)22(23)18-12-8-9-13-20(18)25(26,27)28/h5-13,22H,4,15H2,1-3H3