5-(2-phenyl-1-phenylsulfanyl-propan-2-yl)oxycarbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(2-phenyl-1-phenylsulfanyl-propan-2-yl)oxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(1-methyl-1-phenyl-2-phenylsulfanyl-ethoxy)carbonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[oxo-[2-phenyl-1-(phenylthio)propan-2-yl]oxymethyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-phenyl-1-phenylsulfanylpropan-2-yl)oxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[1-methyl-1-phenyl-2-(phenylthio)ethoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Formula: C22H21NO4S MolecularWeight: 395.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C3=CNC=C(C3)C(=O)O

Isomeric SMILES

CC(CSC1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C3=CNC=C(C3)C(=O)O

InChI

InChI=1S/C22H21NO4S/c1-22(18-8-4-2-5-9-18,15-28-19-10-6-3-7-11-19)27-21(26)17-12-16(20(24)25)13-23-14-17/h2-11,13-14,23H,12,15H2,1H3,(H,24,25)