prop-2-enyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-[(phenylthio)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-[(phenylthio)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H21F3N2O2S MolecularWeight: 470.50665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC2=CC=CC=C2)C(=O)OCC=C)C3=CC=CC=C3C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC2=CC=CC=C2)C(=O)OCC=C)C3=CC=CC=C3C(F)(F)F)C#N

InChI

InChI=1S/C25H21F3N2O2S/c1-3-13-32-24(31)23-21(15-33-17-9-5-4-6-10-17)30-16(2)19(14-29)22(23)18-11-7-8-12-20(18)25(26,27)28/h3-12,22,30H,1,13,15H2,2H3