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

Systemtic Name: methyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S2/c1-25-16(22)9-8-15(21)20-17(27)19-12-4-6-14(7-5-12)28(23,24)18-11-13-3-2-10-26-13/h2-7,10,18H,8-9,11H2,1H3,(H2,19,20,21,27)