2-[2-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-nitro-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-nitro-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[2-(4-chlorophenoxy)ethylsulfanyl]-5-nitro-benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[2-(4-chlorophenoxy)ethylthio]-5-nitro-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[2-(4-chlorophenoxy)ethylsulfanyl]-5-nitrobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[2-(4-chlorophenoxy)ethylthio]-5-nitro-benzimidazol-1-yl]acetic acid Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCSC2=NC3=C(N2CC(=O)O)C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCCSC2=NC3=C(N2CC(=O)O)C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O5S/c18-11-1-4-13(5-2-11)26-7-8-27-17-19-14-9-12(21(24)25)3-6-15(14)20(17)10-16(22)23/h1-6,9H,7-8,10H2,(H,22,23)