(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 4-chloranyl-3-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 4-chloranyl-3-(prop-2-enylsulfamoyl)benzoate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 3-(allylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-(prop-2-enylsulfamoyl)benzoic acid [2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl ester IUPAC Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 4-chloro-3-(prop-2-enylsulfamoyl)benzoate Traditional Name: 3-(allylsulfamoyl)-4-chloro-benzoic acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C16H16ClN3O5S2 MolecularWeight: 429.89834

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC=C

Isomeric SMILES

CSC1=NC(=O)C=C(N1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC=C

InChI

InChI=1S/C16H16ClN3O5S2/c1-3-6-18-27(23,24)13-7-10(4-5-12(13)17)15(22)25-9-11-8-14(21)20-16(19-11)26-2/h3-5,7-8,18H,1,6,9H2,2H3,(H,19,20,21)