3-methyl-2-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 3-methyl-2-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-(1-carboxybutylsulfanyl)-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxopentan-2-yl)thio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxopentan-2-yl)sulfanyl-3-methylimidazole-4-carboxylic acid Traditional Name: 2-(1-carboxybutylthio)-3-methyl-imidazole-4-carboxylic acid Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC=C(N1C)C(=O)O

Isomeric SMILES

CCCC(C(=O)O)SC1=NC=C(N1C)C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-3-4-7(9(15)16)17-10-11-5-6(8(13)14)12(10)2/h5,7H,3-4H2,1-2H3,(H,13,14)(H,15,16)