5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-3-oxidanylidene-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-3-oxidanylidene-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-3-oxo-isothiazole-4-carboxylic acid CAS Name: 5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-3-oxo-4-isothiazolecarboxylic acid IUPAC Name: 5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-3-oxo-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-3-keto-4-isothiazoline-4-carboxylic acid Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=C(C(=O)NS2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=C(C(=O)NS2)C(=O)O

InChI

InChI=1S/C16H17NO5S2/c1-3-4-11-9(5-6-10(8(2)18)13(11)19)7-23-16-12(15(21)22)14(20)17-24-16/h5-6,19H,3-4,7H2,1-2H3,(H,17,20)(H,21,22)