(2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H19ClN2O7S MolecularWeight: 466.89206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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