(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 2-methyl-5-(m-tolylsulfamoyl)benzoate CAS Name: 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoic acid [2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl ester IUPAC Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 2-methyl-5-(m-tolylsulfamoyl)benzoic acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=CC(=O)N=C(N3)SC

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=CC(=O)N=C(N3)SC

InChI

InChI=1S/C21H21N3O5S2/c1-13-5-4-6-15(9-13)24-31(27,28)17-8-7-14(2)18(11-17)20(26)29-12-16-10-19(25)23-21(22-16)30-3/h4-11,24H,12H2,1-3H3,(H,22,23,25)