2-(1-methylimidazol-2-yl)sulfanyl-4-oxidanyl-pentanoic acid

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-4-oxidanyl-pentanoic acid Openeye Name: 4-hydroxy-2-(1-methylimidazol-2-yl)sulfanyl-pentanoic acid CAS Name: 4-hydroxy-2-[(1-methyl-2-imidazolyl)thio]pentanoic acid IUPAC Name: 4-hydroxy-2-(1-methylimidazol-2-yl)sulfanylpentanoic acid Traditional Name: 4-hydroxy-2-[(1-methylimidazol-2-yl)thio]valeric acid Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)SC1=NC=CN1C)O

Isomeric SMILES

CC(CC(C(=O)O)SC1=NC=CN1C)O

InChI

InChI=1S/C9H14N2O3S/c1-6(12)5-7(8(13)14)15-9-10-3-4-11(9)2/h3-4,6-7,12H,5H2,1-2H3,(H,13,14)