[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazino]ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC(=O)NNC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC(=O)NNC(=O)C2=CC=CS2

InChI

InChI=1S/C17H17BrN2O5S/c18-12-4-1-5-13(10-12)24-8-2-7-16(22)25-11-15(21)19-20-17(23)14-6-3-9-26-14/h1,3-6,9-10H,2,7-8,11H2,(H,19,21)(H,20,23)