2-methoxyethyl 4-oxidanylidene-4-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O6S2/c1-29-13-14-30-20(26)12-11-19(25)24-21(31)23-17-7-9-18(10-8-17)32(27,28)22-15-16-5-3-2-4-6-16/h2-10,22H,11-15H2,1H3,(H2,23,24,25,31)