3-(4-chloranyl-3-oxidanylidene-1,2-oxazol-5-yl)propanethioic S-acid

Systemtic Name: 3-(4-chloranyl-3-oxidanylidene-1,2-oxazol-5-yl)propanethioic S-acid Openeye Name: 3-(4-chloro-3-oxo-isoxazol-5-yl)propanethioic S-acid CAS Name: 3-(4-chloro-3-oxo-5-isoxazolyl)propanethioic S-acid IUPAC Name: 3-(4-chloro-3-oxo-1,2-oxazol-5-yl)propanethioic S-acid Traditional Name: 3-(4-chloro-3-keto-4-isoxazolin-5-yl)thiopropionic acid Formula: C6H6ClNO3S MolecularWeight: 207.63474

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)S)C1=C(C(=O)NO1)Cl

Isomeric SMILES

C(CC(=O)S)C1=C(C(=O)NO1)Cl

InChI

InChI=1S/C6H6ClNO3S/c7-5-3(1-2-4(9)12)11-8-6(5)10/h1-2H2,(H,8,10)(H,9,12)