2-[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-6-nitro-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-6-nitro-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(5-ethoxy-5-oxo-pentyl)sulfanyl-6-nitro-benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(5-ethoxy-5-oxopentyl)thio]-6-nitro-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(5-ethoxy-5-oxopentyl)sulfanyl-6-nitrobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(5-ethoxy-5-keto-pentyl)thio]-6-nitro-benzimidazol-1-yl]acetic acid Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC2=C(N1CC(=O)O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCSC1=NC2=C(N1CC(=O)O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S/c1-2-25-15(22)5-3-4-8-26-16-17-12-7-6-11(19(23)24)9-13(12)18(16)10-14(20)21/h6-7,9H,2-5,8,10H2,1H3,(H,20,21)