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

Systemtic Name: 2-[1-(oxan-4-yl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-(1-tetrahydropyran-4-ylimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[[1-(4-oxanyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(oxan-4-yl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[(1-tetrahydropyran-4-ylimidazol-2-yl)thio]acetic acid Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C=CN=C2SCC(=O)O

Isomeric SMILES

C1COCCC1N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C10H14N2O3S/c13-9(14)7-16-10-11-3-4-12(10)8-1-5-15-6-2-8/h3-4,8H,1-2,5-7H2,(H,13,14)