(2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H20BrNO5S2 MolecularWeight: 486.3998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrNO5S2/c1-2-25-18-13-14(19(27)21-9-11-24-12-10-21)3-8-17(18)26-28(22,23)16-6-4-15(20)5-7-16/h3-8,13H,2,9-12H2,1H3