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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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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)NCC2CCCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2

InChI

InChI=1S/C18H23N3O6S2/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/h5-10,14,19H,2-4,11-12H2,1H3,(H2,20,21,22,28)/b10-9+