2-methoxyethyl 4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate

Systemtic Name: 2-methoxyethyl 4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate Openeye Name: 2-methoxyethyl 4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate CAS Name: 4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate Traditional Name: 4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoic acid 2-methoxyethyl ester Formula: C13H16N4O7S3 MolecularWeight: 436.48374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC)SC(=N1)S(=O)(=O)N

Isomeric SMILES

CN1/C(=N\S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC)/SC(=N1)S(=O)(=O)N

InChI

InChI=1S/C13H16N4O7S3/c1-17-12(25-13(15-17)26(14,19)20)16-27(21,22)10-5-3-9(4-6-10)11(18)24-8-7-23-2/h3-6H,7-8H2,1-2H3,(H2,14,19,20)/b16-12+