methyl 2-[(4-ethoxy-3-ethylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-3-methyl-benzoate

Systemtic Name: methyl 2-[(4-ethoxy-3-ethylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-3-methyl-benzoate Openeye Name: methyl 2-[(4-ethoxy-3-ethylsulfanyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-3-methyl-benzoate CAS Name: 2-[[[4-ethoxy-3-(ethylthio)-5-oxo-1,2,4-triazol-1-yl]-oxomethyl]sulfamoyl]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxy-3-ethylsulfanyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-3-methylbenzoate Traditional Name: 2-[[4-ethoxy-3-(ethylthio)-5-keto-1,2,4-triazole-1-carbonyl]sulfamoyl]-3-methyl-benzoic acid methyl ester Formula: C16H20N4O7S2 MolecularWeight: 444.4826

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Descriptors Computed from Structure

Canonical SMILES:

CCON1C(=NN(C1=O)C(=O)NS(=O)(=O)C2=C(C=CC=C2C)C(=O)OC)SCC

Isomeric SMILES

CCON1C(=NN(C1=O)C(=O)NS(=O)(=O)C2=C(C=CC=C2C)C(=O)OC)SCC

InChI

InChI=1S/C16H20N4O7S2/c1-5-27-20-15(28-6-2)17-19(16(20)23)14(22)18-29(24,25)12-10(3)8-7-9-11(12)13(21)26-4/h7-9H,5-6H2,1-4H3,(H,18,22)