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

Systemtic Name: 2-piperidin-1-ylethyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-(1-piperidyl)ethyl 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 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 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 2-piperidinoethyl ester Formula: C29H30F3N3O2S MolecularWeight: 541.62761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC2=CC=CC=C2)C(=O)OCCN3CCCCC3)C4=CC=CC=C4C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC2=CC=CC=C2)C(=O)OCCN3CCCCC3)C4=CC=CC=C4C(F)(F)F)C#N

InChI

InChI=1S/C29H30F3N3O2S/c1-20-23(18-33)26(22-12-6-7-13-24(22)29(30,31)32)27(25(34-20)19-38-21-10-4-2-5-11-21)28(36)37-17-16-35-14-8-3-9-15-35/h2,4-7,10-13,26,34H,3,8-9,14-17,19H2,1H3