4-[2-(carboxymethylsulfanyl)benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[2-(carboxymethylsulfanyl)benzimidazol-1-yl]butanoic acid Openeye Name: 4-[2-(carboxymethylsulfanyl)benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-(carboxymethylthio)-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[2-(carboxymethylsulfanyl)benzimidazol-1-yl]butanoic acid Traditional Name: 4-[2-(carboxymethylthio)benzimidazol-1-yl]butyric acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCCC(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCCC(=O)O)SCC(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-11(17)6-3-7-15-10-5-2-1-4-9(10)14-13(15)20-8-12(18)19/h1-2,4-5H,3,6-8H2,(H,16,17)(H,18,19)