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

Systemtic Name: (2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoate Openeye Name: (2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-(p-tolyl)propanoate CAS Name: (2R)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]-3-(4-methylphenyl)propanoate IUPAC Name: (2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoate Traditional Name: (2R)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]-3-(p-tolyl)propionate Formula: C18H17N2O2S- MolecularWeight: 325.40478

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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)C[C@H](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)/p-1/t16-/m1/s1