2-[1-(thietan-3-yl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(thietan-3-yl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(thietan-3-yl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-thietanyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(thietan-3-yl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(thietan-3-yl)benzimidazol-2-yl]thio]acetic acid Formula: C12H12N2O2S2 MolecularWeight: 280.36588

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CS1)N2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1C(CS1)N2C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C12H12N2O2S2/c15-11(16)7-18-12-13-9-3-1-2-4-10(9)14(12)8-5-17-6-8/h1-4,8H,5-7H2,(H,15,16)