5-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfanyl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 5-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfanyl-1,3-thiazole-4-carboxylic acid Openeye Name: 5-(1-carboxybutylsulfanyl)thiazole-4-carboxylic acid CAS Name: 5-[(1-hydroxy-1-oxopentan-2-yl)thio]-4-thiazolecarboxylic acid IUPAC Name: 5-(1-hydroxy-1-oxopentan-2-yl)sulfanyl-1,3-thiazole-4-carboxylic acid Traditional Name: 5-(1-carboxybutylthio)thiazole-4-carboxylic acid Formula: C9H11NO4S2 MolecularWeight: 261.31794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=C(N=CS1)C(=O)O

Isomeric SMILES

CCCC(C(=O)O)SC1=C(N=CS1)C(=O)O

InChI

InChI=1S/C9H11NO4S2/c1-2-3-5(7(11)12)16-9-6(8(13)14)10-4-15-9/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)