(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoic acid

Systemtic Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoic acid Openeye Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(p-tolyl)propanoic acid CAS Name: (2R)-2-(1H-benzimidazol-2-ylthio)-3-(4-methylphenyl)propanoic acid IUPAC Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoic acid Traditional Name: (2R)-2-(1H-benzimidazol-2-ylthio)-3-(p-tolyl)propionic acid Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)O)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C(=O)O)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H16N2O2S/c1-11-6-8-12(9-7-11)10-15(16(20)21)22-17-18-13-4-2-3-5-14(13)19-17/h2-9,15H,10H2,1H3,(H,18,19)(H,20,21)/t15-/m1/s1