(2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate Openeye Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-chloro-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H19BrClNO5S2 MolecularWeight: 520.84486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClNO5S2/c1-2-26-17-12-13(19(28)22-7-9-25-10-8-22)11-16(21)18(17)27-29(23,24)15-5-3-14(20)4-6-15/h3-6,11-12H,2,7-10H2,1H3