4-[(4Z)-4-[(4-bromanylthiophen-2-yl)methylidene]-5-oxidanylidene-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[(4Z)-4-[(4-bromanylthiophen-2-yl)methylidene]-5-oxidanylidene-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(4Z)-4-[(4-bromo-2-thienyl)methylene]-5-oxo-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(4Z)-4-[(4-bromo-2-thiophenyl)methylidene]-5-oxo-2-oxazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-5-oxo-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(4Z)-4-[(4-bromo-2-thienyl)methylene]-5-keto-2-oxazolin-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C18H17BrN2O4S2 MolecularWeight: 469.37258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC3=CC(=CS3)Br)C(=O)O2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=N/C(=C\C3=CC(=CS3)Br)/C(=O)O2

InChI

InChI=1S/C18H17BrN2O4S2/c1-3-21(4-2)27(23,24)15-7-5-12(6-8-15)17-20-16(18(22)25-17)10-14-9-13(19)11-26-14/h5-11H,3-4H2,1-2H3/b16-10-