2-[[6-chloranyl-3-(2-hydroxyethyl)-2-sulfanylidene-1H-benzimidazol-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-chloranyl-3-(2-hydroxyethyl)-2-sulfanylidene-1H-benzimidazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-chloro-3-(2-hydroxyethyl)-2-thioxo-1H-benzimidazol-5-yl]sulfanyl]acetic acid CAS Name: 2-[[6-chloro-3-(2-hydroxyethyl)-2-sulfanylidene-1H-benzimidazol-5-yl]thio]acetic acid IUPAC Name: 2-[[6-chloro-3-(2-hydroxyethyl)-2-sulfanylidene-1H-benzimidazol-5-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-chloro-3-(2-hydroxyethyl)-2-thioxo-1H-benzimidazol-5-yl]thio]acetic acid Formula: C11H11ClN2O3S2 MolecularWeight: 318.79964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)SCC(=O)O)N(C(=S)N2)CCO

Isomeric SMILES

C1=C2C(=CC(=C1Cl)SCC(=O)O)N(C(=S)N2)CCO

InChI

InChI=1S/C11H11ClN2O3S2/c12-6-3-7-8(4-9(6)19-5-10(16)17)14(1-2-15)11(18)13-7/h3-4,15H,1-2,5H2,(H,13,18)(H,16,17)