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

Systemtic Name: 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoate Openeye Name: 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoate CAS Name: 4-[(6-methoxy-1H-benzimidazol-2-yl)thio]butanoate IUPAC Name: 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoate Traditional Name: 4-[(6-methoxy-1H-benzimidazol-2-yl)thio]butyrate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S/c1-17-8-4-5-9-10(7-8)14-12(13-9)18-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)(H,15,16)/p-1