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

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H20N2O7S2 MolecularWeight: 452.5013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S2/c1-2-27-17-13-14(19(29)20-9-11-26-12-10-20)7-8-16(17)28-30(24,25)18-6-4-3-5-15(18)21(22)23/h3-8,13H,2,9-12H2,1H3