methyl 4-[[2-(ethoxycarbonylamino)sulfanyl-2-oxidanylidene-ethyl]amino]-2-sulfamoyl-benzoate

Systemtic Name: methyl 4-[[2-(ethoxycarbonylamino)sulfanyl-2-oxidanylidene-ethyl]amino]-2-sulfamoyl-benzoate Openeye Name: methyl 4-[[2-(ethoxycarbonylamino)sulfanyl-2-oxo-ethyl]amino]-2-sulfamoyl-benzoate CAS Name: 4-[[2-[(ethoxycarbonylamino)thio]-2-oxoethyl]amino]-2-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-(ethoxycarbonylamino)sulfanyl-2-oxoethyl]amino]-2-sulfamoylbenzoate Traditional Name: 4-[[2-[(carbethoxyamino)thio]-2-keto-ethyl]amino]-2-sulfamoyl-benzoic acid methyl ester Formula: C13H17N3O7S2 MolecularWeight: 391.41998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NSC(=O)CNC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)NSC(=O)CNC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N

InChI

InChI=1S/C13H17N3O7S2/c1-3-23-13(19)16-24-11(17)7-15-8-4-5-9(12(18)22-2)10(6-8)25(14,20)21/h4-6,15H,3,7H2,1-2H3,(H,16,19)(H2,14,20,21)