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

Systemtic Name: (2R)-3-(2-chloranyl-4-methyl-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Openeye Name: (2R)-3-(2-chloro-4-methyl-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid CAS Name: (2R)-3-(2-chloro-4-methylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propanoic acid IUPAC Name: (2R)-3-(2-chloro-4-methylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Traditional Name: (2R)-3-(2-chloro-4-methyl-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propionic acid Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC(CC3=C(C=C(C=C3)C)Cl)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)S[C@H](CC3=C(C=C(C=C3)C)Cl)C(=O)O

InChI

InChI=1S/C18H17ClN2O2S/c1-10-3-5-12(13(19)7-10)9-16(17(22)23)24-18-20-14-6-4-11(2)8-15(14)21-18/h3-8,16H,9H2,1-2H3,(H,20,21)(H,22,23)/t16-/m1/s1