(2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methoxybenzenesulfonate

Systemtic Name: (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methoxybenzenesulfonate Openeye Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H23NO7S2 MolecularWeight: 453.52912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC

InChI

InChI=1S/C20H23NO7S2/c1-24-15-4-6-16(7-5-15)30(22,23)28-19-17(25-2)12-14(13-18(19)26-3)20(29)21-8-10-27-11-9-21/h4-7,12-13H,8-11H2,1-3H3