2-methoxyethyl 4-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(acetylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C16H21N3O7S2 MolecularWeight: 431.48384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C16H21N3O7S2/c1-11(20)19-28(23,24)13-5-3-12(4-6-13)17-16(27)18-14(21)7-8-15(22)26-10-9-25-2/h3-6H,7-10H2,1-2H3,(H,19,20)(H2,17,18,21,27)