4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butanoate

Systemtic Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butanoate Openeye Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butanoate CAS Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)thio]butanoate IUPAC Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butanoate Traditional Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)thio]butyrate Formula: C13H15N2O3S- MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCCCC(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCCCC(=O)[O-]

InChI

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