3-(2-prop-2-enylsulfanylbenzimidazol-1-yl)propanoic acid

Systemtic Name: 3-(2-prop-2-enylsulfanylbenzimidazol-1-yl)propanoic acid Openeye Name: 3-(2-allylsulfanylbenzimidazol-1-yl)propanoic acid CAS Name: 3-[2-(prop-2-enylthio)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-(2-prop-2-enylsulfanylbenzimidazol-1-yl)propanoic acid Traditional Name: 3-[2-(allylthio)benzimidazol-1-yl]propionic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1CCC(=O)O

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1CCC(=O)O

InChI

InChI=1S/C13H14N2O2S/c1-2-9-18-13-14-10-5-3-4-6-11(10)15(13)8-7-12(16)17/h2-6H,1,7-9H2,(H,16,17)