ethyl (E)-4-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(acetylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C15H17N3O6S2 MolecularWeight: 399.44198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C

InChI

InChI=1S/C15H17N3O6S2/c1-3-24-14(21)9-8-13(20)17-15(25)16-11-4-6-12(7-5-11)26(22,23)18-10(2)19/h4-9H,3H2,1-2H3,(H,18,19)(H2,16,17,20,25)/b9-8+