4-butylsulfanyl-5-methyl-3-oxidanylidene-1,2-oxazole-2-carbonyl chloride

Systemtic Name: 4-butylsulfanyl-5-methyl-3-oxidanylidene-1,2-oxazole-2-carbonyl chloride Openeye Name: 4-butylsulfanyl-5-methyl-3-oxo-isoxazole-2-carbonyl chloride CAS Name: 4-(butylthio)-5-methyl-3-oxo-2-isoxazolecarbonyl chloride IUPAC Name: 4-butylsulfanyl-5-methyl-3-oxo-1,2-oxazole-2-carbonyl chloride Traditional Name: 4-(butylthio)-3-keto-5-methyl-4-isoxazoline-2-carbonyl chloride Formula: C9H12ClNO3S MolecularWeight: 249.71448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(ON(C1=O)C(=O)Cl)C

Isomeric SMILES

CCCCSC1=C(ON(C1=O)C(=O)Cl)C

InChI

InChI=1S/C9H12ClNO3S/c1-3-4-5-15-7-6(2)14-11(8(7)12)9(10)13/h3-5H2,1-2H3