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

Systemtic Name: methyl 4-oxidanylidene-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H23N3O6S2 MolecularWeight: 429.51102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2

InChI

InChI=1S/C17H23N3O6S2/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/h4-7,13,18H,2-3,8-11H2,1H3,(H2,19,20,21,27)