(2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H19ClN2O7S MolecularWeight: 466.89206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC)C(=S)N3CCOCC3

InChI

InChI=1S/C20H19ClN2O7S/c1-27-16-9-12(19(31)22-5-7-29-8-6-22)10-17(28-2)18(16)30-20(24)14-4-3-13(23(25)26)11-15(14)21/h3-4,9-11H,5-8H2,1-2H3