5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanoate

Systemtic Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanoate Openeye Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanoate CAS Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)thio]pentanoate IUPAC Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanoate Traditional Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)thio]valerate Formula: C13H15N2O3S- MolecularWeight: 279.3348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCCCCC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCCCCC(=O)[O-]

InChI

InChI=1S/C13H16N2O3S/c1-18-9-5-6-10-11(8-9)15-13(14-10)19-7-3-2-4-12(16)17/h5-6,8H,2-4,7H2,1H3,(H,14,15)(H,16,17)/p-1