2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(1,1-dioxothiolan-3-yl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(1,1-dioxo-3-thiolanyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(1,1-dioxothiolan-3-yl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1,1-diketothiolan-3-yl)benzimidazol-2-yl]thio]acetic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1N2C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C13H14N2O4S2/c16-12(17)7-20-13-14-10-3-1-2-4-11(10)15(13)9-5-6-21(18,19)8-9/h1-4,9H,5-8H2,(H,16,17)