2-[1-(3-azanyl-3-oxidanylidene-propyl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-azanyl-3-oxidanylidene-propyl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-amino-3-oxo-propyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-amino-3-oxopropyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-amino-3-keto-propyl)benzimidazol-2-yl]thio]acetic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCC(=O)N)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCC(=O)N)SCC(=O)O

InChI

InChI=1S/C12H13N3O3S/c13-10(16)5-6-15-9-4-2-1-3-8(9)14-12(15)19-7-11(17)18/h1-4H,5-7H2,(H2,13,16)(H,17,18)