methyl 2,6-dimethyl-4-[3-(2-phenylpropyl)-2-sulfanyl-phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-4-[3-(2-phenylpropyl)-2-sulfanyl-phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-4-[3-(2-phenylpropyl)-2-sulfanyl-phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 4-[2-mercapto-3-(2-phenylpropyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-4-[3-(2-phenylpropyl)-2-sulfanylphenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-[2-mercapto-3-(2-phenylpropyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C24H27NO2S MolecularWeight: 393.54168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1)C)C(=O)OC)C2=C(C(=CC=C2)CC(C)C3=CC=CC=C3)S

Isomeric SMILES

CC1=CC(C(=C(N1)C)C(=O)OC)C2=C(C(=CC=C2)CC(C)C3=CC=CC=C3)S

InChI

InChI=1S/C24H27NO2S/c1-15(18-9-6-5-7-10-18)13-19-11-8-12-20(23(19)28)21-14-16(2)25-17(3)22(21)24(26)27-4/h5-12,14-15,21,25,28H,13H2,1-4H3