(5-chloranyl-1-methyl-benzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (5-chloranyl-1-methyl-benzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (5-chloro-1-methyl-benzimidazol-2-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (5-chloro-1-methyl-2-benzimidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylbenzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (5-chloro-1-methyl-benzimidazol-2-yl)methyl ester Formula: C18H17ClN2O2S MolecularWeight: 360.85778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=NC3=C(N2C)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=NC3=C(N2C)C=CC(=C3)Cl

InChI

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