2-[1-[2-(methylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(methylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(methylamino)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(methylamino)-2-oxoethyl]-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-keto-2-(methylamino)ethyl]benzimidazol-2-yl]thio]acetic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CNC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-13-10(16)6-15-9-5-3-2-4-8(9)14-12(15)19-7-11(17)18/h2-5H,6-7H2,1H3,(H,13,16)(H,17,18)