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

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S2/c1-3-25-19-14-16(20(27)21-10-12-24-13-11-21)6-9-18(19)26-28(22,23)17-7-4-15(2)5-8-17/h4-9,14H,3,10-13H2,1-2H3