ethyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2

InChI

InChI=1S/C18H21N3O6S2/c1-2-26-17(23)10-9-16(22)21-18(28)20-13-5-7-15(8-6-13)29(24,25)19-12-14-4-3-11-27-14/h3-8,11,19H,2,9-10,12H2,1H3,(H2,20,21,22,28)