2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoic acid Openeye Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-(p-tolyl)propanoic acid CAS Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-3-(4-methylphenyl)propanoic acid IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoic acid Traditional Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-3-(p-tolyl)propionic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)O)SC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)O)SC2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C18H18N2O2S/c1-11-3-6-13(7-4-11)10-16(17(21)22)23-18-19-14-8-5-12(2)9-15(14)20-18/h3-9,16H,10H2,1-2H3,(H,19,20)(H,21,22)