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

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 3-(ethylsulfamoyl)benzoate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 3-(ethylsulfamoyl)benzoate CAS Name: 3-(ethylsulfamoyl)benzoic acid [2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl ester IUPAC Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 3-(ethylsulfamoyl)benzoate Traditional Name: 3-(ethylsulfamoyl)benzoic acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C15H17N3O5S2 MolecularWeight: 383.44258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)N=C(N2)SC

Isomeric SMILES

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)N=C(N2)SC

InChI

InChI=1S/C15H17N3O5S2/c1-3-16-25(21,22)12-6-4-5-10(7-12)14(20)23-9-11-8-13(19)18-15(17-11)24-2/h4-8,16H,3,9H2,1-2H3,(H,17,18,19)