2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]-5-nitro-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]-5-nitro-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]-5-nitro-benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(3-methoxycarbonylphenyl)methylthio]-5-nitro-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]-5-nitrobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(3-carbomethoxybenzyl)thio]-5-nitro-benzimidazol-1-yl]acetic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c1-27-17(24)12-4-2-3-11(7-12)10-28-18-19-14-8-13(21(25)26)5-6-15(14)20(18)9-16(22)23/h2-8H,9-10H2,1H3,(H,22,23)