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

Systemtic Name: 2-[5-cyano-2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-2-(5-ethoxy-5-oxo-pentyl)sulfanyl-benzimidazol-1-yl]acetic acid CAS Name: 2-[5-cyano-2-[(5-ethoxy-5-oxopentyl)thio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-cyano-2-(5-ethoxy-5-oxopentyl)sulfanylbenzimidazol-1-yl]acetic acid Traditional Name: 2-[5-cyano-2-[(5-ethoxy-5-keto-pentyl)thio]benzimidazol-1-yl]acetic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC2=C(N1CC(=O)O)C=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)CCCCSC1=NC2=C(N1CC(=O)O)C=CC(=C2)C#N

InChI

InChI=1S/C17H19N3O4S/c1-2-24-16(23)5-3-4-8-25-17-19-13-9-12(10-18)6-7-14(13)20(17)11-15(21)22/h6-7,9H,2-5,8,11H2,1H3,(H,21,22)