2-(3-oxidanylidenebutylsulfanyl)-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-(3-oxidanylidenebutylsulfanyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-oxobutylsulfanyl)thiazole-4-carboxylic acid CAS Name: 2-(3-oxobutylthio)-4-thiazolecarboxylic acid IUPAC Name: 2-(3-oxobutylsulfanyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-ketobutylthio)thiazole-4-carboxylic acid Formula: C8H9NO3S2 MolecularWeight: 231.29196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC(=CS1)C(=O)O

Isomeric SMILES

CC(=O)CCSC1=NC(=CS1)C(=O)O

InChI

InChI=1S/C8H9NO3S2/c1-5(10)2-3-13-8-9-6(4-14-8)7(11)12/h4H,2-3H2,1H3,(H,11,12)