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

Systemtic Name: 2-morpholin-4-ylethyl 5-cyano-6-methyl-2-(phenylsulfinylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-morpholinoethyl 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-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 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-morpholinoethyl ester Formula: C28H28F3N3O4S MolecularWeight: 559.59983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CS(=O)C2=CC=CC=C2)C(=O)OCCN3CCOCC3)C4=CC=CC=C4C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)CS(=O)C2=CC=CC=C2)C(=O)OCCN3CCOCC3)C4=CC=CC=C4C(F)(F)F)C#N

InChI

InChI=1S/C28H28F3N3O4S/c1-19-22(17-32)25(21-9-5-6-10-23(21)28(29,30)31)26(27(35)38-16-13-34-11-14-37-15-12-34)24(33-19)18-39(36)20-7-3-2-4-8-20/h2-10,25,33H,11-16,18H2,1H3