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

Systemtic Name: 2-hydroxyethyl 5-cyano-6-methyl-2-(phenylsulfinylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-hydroxyethyl 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 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 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 2-hydroxyethyl ester Formula: C24H21F3N2O4S MolecularWeight: 490.49475

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H21F3N2O4S/c1-15-18(13-28)21(17-9-5-6-10-19(17)24(25,26)27)22(23(31)33-12-11-30)20(29-15)14-34(32)16-7-3-2-4-8-16/h2-10,21,29-30H,11-12,14H2,1H3