3-(2-ethylsulfanylbenzimidazol-1-yl)propanoic acid

Systemtic Name: 3-(2-ethylsulfanylbenzimidazol-1-yl)propanoic acid Openeye Name: 3-(2-ethylsulfanylbenzimidazol-1-yl)propanoic acid CAS Name: 3-[2-(ethylthio)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-(2-ethylsulfanylbenzimidazol-1-yl)propanoic acid Traditional Name: 3-[2-(ethylthio)benzimidazol-1-yl]propionic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-2-17-12-13-9-5-3-4-6-10(9)14(12)8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)