methyl 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethanoate Openeye Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylacetate CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylacetate Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]acetic acid methyl ester Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)OC)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)OC)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H18N2O2S2/c1-12-13(6-5-9-16(12)23-11-17(21)22-2)10-24-18-19-14-7-3-4-8-15(14)20-18/h3-9H,10-11H2,1-2H3,(H,19,20)