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

Systemtic Name: (2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methoxybenzenesulfonate Openeye Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-chloro-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H22ClNO6S2 MolecularWeight: 471.97478

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO6S2/c1-3-27-18-13-14(20(29)22-8-10-26-11-9-22)12-17(21)19(18)28-30(23,24)16-6-4-15(25-2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3