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

Systemtic Name: (2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-chloro-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H19ClN2O7S2 MolecularWeight: 486.94636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O7S2/c1-2-28-16-12-13(19(30)21-7-9-27-10-8-21)11-14(20)18(16)29-31(25,26)17-6-4-3-5-15(17)22(23)24/h3-6,11-12H,2,7-10H2,1H3