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

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 3-(prop-2-enylsulfamoyl)benzoate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 3-(allylsulfamoyl)benzoate CAS Name: 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 3-(prop-2-enylsulfamoyl)benzoate Traditional Name: 3-(allylsulfamoyl)benzoic acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-3-7-17-26(22,23)13-6-4-5-11(8-13)15(21)24-10-12-9-14(20)19-16(18-12)25-2/h3-6,8-9,17H,1,7,10H2,2H3,(H,18,19,20)