ethyl (E)-4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C16H16N4O5S3 MolecularWeight: 440.51704

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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)NC2=NC=CS2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2

InChI

InChI=1S/C16H16N4O5S3/c1-2-25-14(22)8-7-13(21)19-15(26)18-11-3-5-12(6-4-11)28(23,24)20-16-17-9-10-27-16/h3-10H,2H2,1H3,(H,17,20)(H2,18,19,21,26)/b8-7+