propan-2-yl 5-cyano-6-methyl-2-(phenylsulfinylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-6-methyl-2-(phenylsulfinylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C25H23F3N2O3S MolecularWeight: 488.52193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CS(=O)C2=CC=CC=C2)C(=O)OC(C)C)C3=CC=CC=C3C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)CS(=O)C2=CC=CC=C2)C(=O)OC(C)C)C3=CC=CC=C3C(F)(F)F)C#N

InChI

InChI=1S/C25H23F3N2O3S/c1-15(2)33-24(31)23-21(14-34(32)17-9-5-4-6-10-17)30-16(3)19(13-29)22(23)18-11-7-8-12-20(18)25(26,27)28/h4-12,15,22,30H,14H2,1-3H3