(2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate Openeye Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H22BrNO5S2 MolecularWeight: 500.42638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO5S2/c1-3-26-18-13-15(20(28)22-8-10-25-11-9-22)12-17(21)19(18)27-29(23,24)16-6-4-14(2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3