2-[2-[(6-chloranyl-4-methoxycarbonyl-pyridin-2-yl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(6-chloranyl-4-methoxycarbonyl-pyridin-2-yl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(6-chloro-4-methoxycarbonyl-2-pyridyl)methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(6-chloro-4-methoxycarbonyl-2-pyridinyl)methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(6-chloro-4-methoxycarbonylpyridin-2-yl)methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(4-carbomethoxy-6-chloro-2-pyridyl)methylthio]benzimidazol-1-yl]acetic acid Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC(=C1)Cl)CSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

COC(=O)C1=CC(=NC(=C1)Cl)CSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C17H14ClN3O4S/c1-25-16(24)10-6-11(19-14(18)7-10)9-26-17-20-12-4-2-3-5-13(12)21(17)8-15(22)23/h2-7H,8-9H2,1H3,(H,22,23)