4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)butanoic acid

Systemtic Name: 4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)butanoic acid Openeye Name: 4-(5-chloro-3-oxo-isothiazol-2-yl)butanoic acid CAS Name: 4-(5-chloro-3-oxo-2-isothiazolyl)butanoic acid IUPAC Name: 4-(5-chloro-3-oxo-1,2-thiazol-2-yl)butanoic acid Traditional Name: 4-(5-chloro-3-keto-4-isothiazolin-2-yl)butyric acid Formula: C7H8ClNO3S MolecularWeight: 221.66132

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SN(C1=O)CCCC(=O)O)Cl

Isomeric SMILES

C1=C(SN(C1=O)CCCC(=O)O)Cl

InChI

InChI=1S/C7H8ClNO3S/c8-5-4-6(10)9(13-5)3-1-2-7(11)12/h4H,1-3H2,(H,11,12)