methyl (1Z)-2-ethanoyl-N-(4-methylphenyl)sulfonyl-3-oxidanylidene-butanimidothioate

Systemtic Name: methyl (1Z)-2-ethanoyl-N-(4-methylphenyl)sulfonyl-3-oxidanylidene-butanimidothioate Openeye Name: methyl (1Z)-2-acetyl-3-oxo-N-(p-tolylsulfonyl)butanimidothioate CAS Name: (1Z)-2-acetyl-N-(4-methylphenyl)sulfonyl-3-oxobutanimidothioic acid methyl ester IUPAC Name: methyl (1Z)-2-acetyl-N-(4-methylphenyl)sulfonyl-3-oxobutanimidothioate Traditional Name: (1Z)-2-acetyl-3-keto-N-tosyl-thiobutyrimidic acid methyl ester Formula: C14H17NO4S2 MolecularWeight: 327.41908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C(C(=O)C)C(=O)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C(C(=O)C)C(=O)C)\SC

InChI

InChI=1S/C14H17NO4S2/c1-9-5-7-12(8-6-9)21(18,19)15-14(20-4)13(10(2)16)11(3)17/h5-8,13H,1-4H3/b15-14-