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2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]propanoic acid

2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]propanoic acid

Systemtic Name:2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]propanoic acid
Openeye Name:2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propanoic acid
CAS Name:2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]propanoic acid
IUPAC Name:2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propanoic acid
Traditional Name:2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]propionic acid
Formula: C13H16N2O3S
MolecularWeight: 280.34274
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCCCN1C2=CC=CC=C2NC1=O


Isomeric SMILES

CC(C(=O)O)SCCCN1C2=CC=CC=C2NC1=O


InChI

InChI=1S/C13H16N2O3S/c1-9(12(16)17)19-8-4-7-15-11-6-3-2-5-10(11)14-13(15)18/h2-3,5-6,9H,4,7-8H2,1H3,(H,14,18)(H,16,17)


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