methyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxidanyl-benzoate

Systemtic Name: methyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxidanyl-benzoate Openeye Name: methyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-hydroxy-benzoate CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-hydroxybenzoate Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-hydroxy-benzoic acid methyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CSC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CSC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C16H14N2O3S/c1-21-15(20)11-8-10(6-7-14(11)19)9-22-16-17-12-4-2-3-5-13(12)18-16/h2-8,19H,9H2,1H3,(H,17,18)