methyl 2-[(4-methyl-6-methylsulfanyl-3-oxidanylidene-pyrazin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(4-methyl-6-methylsulfanyl-3-oxidanylidene-pyrazin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-methyl-6-methylsulfanyl-3-oxo-pyrazin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-methyl-6-(methylthio)-3-oxo-2-pyrazinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-6-methylsulfanyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[[3-keto-4-methyl-6-(methylthio)pyrazin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C15H16N4O6S2 MolecularWeight: 412.44074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C(C1=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)SC

Isomeric SMILES

CN1C=C(N=C(C1=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)SC

InChI

InChI=1S/C15H16N4O6S2/c1-19-8-11(26-3)16-12(13(19)20)17-15(22)18-27(23,24)10-7-5-4-6-9(10)14(21)25-2/h4-8H,1-3H3,(H2,16,17,18,22)