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

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-3-28-20-14-16(21(30)23-10-12-27-13-11-23)4-9-19(20)29-31(25,26)18-7-5-17(6-8-18)22-15(2)24/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)