2-[1-(1-azanyl-1-oxidanylidene-propan-2-yl)benzimidazol-2-yl]sulfanylethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CC(C(=O)N)N1C2=CC=CC=C2N=C1SCC(=O)O

InChI

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