(3-morpholin-4-ylcarbothioylphenyl) 4-methoxybenzenesulfonate

Systemtic Name: (3-morpholin-4-ylcarbothioylphenyl) 4-methoxybenzenesulfonate Openeye Name: [3-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=S)N3CCOCC3

InChI

InChI=1S/C18H19NO5S2/c1-22-15-5-7-17(8-6-15)26(20,21)24-16-4-2-3-14(13-16)18(25)19-9-11-23-12-10-19/h2-8,13H,9-12H2,1H3