5-(methylsulfanylmethyl)-3-oxidanylidene-1,2-oxazole-4-carbonyl chloride

Systemtic Name: 5-(methylsulfanylmethyl)-3-oxidanylidene-1,2-oxazole-4-carbonyl chloride Openeye Name: 5-(methylsulfanylmethyl)-3-oxo-isoxazole-4-carbonyl chloride CAS Name: 5-[(methylthio)methyl]-3-oxo-4-isoxazolecarbonyl chloride IUPAC Name: 5-(methylsulfanylmethyl)-3-oxo-1,2-oxazole-4-carbonyl chloride Traditional Name: 3-keto-5-[(methylthio)methyl]-4-isoxazoline-4-carbonyl chloride Formula: C6H6ClNO3S MolecularWeight: 207.63474

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(C(=O)NO1)C(=O)Cl

Isomeric SMILES

CSCC1=C(C(=O)NO1)C(=O)Cl

InChI

InChI=1S/C6H6ClNO3S/c1-12-2-3-4(5(7)9)6(10)8-11-3/h2H2,1H3,(H,8,10)