4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxo-butanoic acid CAS Name: 4-[2-(ethylthio)-1-benzimidazolyl]-4-oxobutanoic acid IUPAC Name: 4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxobutanoic acid Traditional Name: 4-[2-(ethylthio)benzimidazol-1-yl]-4-keto-butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)O

Isomeric SMILES

CCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-2-19-13-14-9-5-3-4-6-10(9)15(13)11(16)7-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)