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3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)pentanoic acid

3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)pentanoic acid

Systemtic Name:3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)pentanoic acid
Openeye Name:3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)pentanoic acid
CAS Name:3-[(1H-benzimidazol-2-ylthio)oxy-oxomethyl]pentanoic acid
IUPAC Name:3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)pentanoic acid
Traditional Name:3-(1H-benzimidazol-2-ylthio)oxycarbonylvaleric acid
Formula: C13H14N2O4S
MolecularWeight: 294.32626
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2N1


Isomeric SMILES

CCC(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2N1


InChI

InChI=1S/C13H14N2O4S/c1-2-8(7-11(16)17)12(18)19-20-13-14-9-5-3-4-6-10(9)15-13/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)


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