ethyl 4-oxidanylidene-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C13H17N3O5S2 MolecularWeight: 359.42118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C13H17N3O5S2/c1-2-21-12(18)8-7-11(17)16-13(22)15-9-3-5-10(6-4-9)23(14,19)20/h3-6H,2,7-8H2,1H3,(H2,14,19,20)(H2,15,16,17,22)