4-oxidanyl-4-[4-(1,2-thiazol-3-yl)phenyl]butanoic acid

Systemtic Name: 4-oxidanyl-4-[4-(1,2-thiazol-3-yl)phenyl]butanoic acid Openeye Name: 4-hydroxy-4-(4-isothiazol-3-ylphenyl)butanoic acid CAS Name: 4-hydroxy-4-[4-(3-isothiazolyl)phenyl]butanoic acid IUPAC Name: 4-hydroxy-4-[4-(1,2-thiazol-3-yl)phenyl]butanoic acid Traditional Name: 4-hydroxy-4-(4-isothiazol-3-ylphenyl)butyric acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NSC=C2)C(CCC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NSC=C2)C(CCC(=O)O)O

InChI

InChI=1S/C13H13NO3S/c15-12(5-6-13(16)17)10-3-1-9(2-4-10)11-7-8-18-14-11/h1-4,7-8,12,15H,5-6H2,(H,16,17)