2-[1-(oxan-4-yl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(oxan-4-yl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-(1-tetrahydropyran-4-ylbenzimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[[1-(4-oxanyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(oxan-4-yl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[(1-tetrahydropyran-4-ylbenzimidazol-2-yl)thio]acetic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1COCCC1N2C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C14H16N2O3S/c17-13(18)9-20-14-15-11-3-1-2-4-12(11)16(14)10-5-7-19-8-6-10/h1-4,10H,5-9H2,(H,17,18)