ethyl (1E)-3-methyl-4-(methylamino)-3-methylsulfanyl-N-oxidanyl-4-oxidanylidene-butanimidothioate

Systemtic Name: ethyl (1E)-3-methyl-4-(methylamino)-3-methylsulfanyl-N-oxidanyl-4-oxidanylidene-butanimidothioate Openeye Name: ethyl (1E)-N-hydroxy-3-methyl-4-(methylamino)-3-methylsulfanyl-4-oxo-butanimidothioate CAS Name: (1E)-N-hydroxy-3-methyl-4-(methylamino)-3-(methylthio)-4-oxobutanimidothioic acid ethyl ester IUPAC Name: ethyl (1E)-N-hydroxy-3-methyl-4-(methylamino)-3-methylsulfanyl-4-oxobutanimidothioate Traditional Name: (1E)-N-hydroxy-4-keto-3-methyl-4-(methylamino)-3-(methylthio)thiobutyrimidic acid ethyl ester Formula: C9H18N2O2S2 MolecularWeight: 250.38142

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NO)CC(C)(C(=O)NC)SC

Isomeric SMILES

CCS/C(=N/O)/CC(C)(C(=O)NC)SC

InChI

InChI=1S/C9H18N2O2S2/c1-5-15-7(11-13)6-9(2,14-4)8(12)10-3/h13H,5-6H2,1-4H3,(H,10,12)/b11-7+