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

Systemtic Name: (2-methoxy-6-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-2-nitro-benzoate Openeye Name: [2-methoxy-6-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-methoxy-6-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-6-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-methoxy-6-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H17ClN2O6S MolecularWeight: 436.86608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O6S/c1-26-16-4-2-3-14(18(29)21-7-9-27-10-8-21)17(16)28-19(23)13-6-5-12(20)11-15(13)22(24)25/h2-6,11H,7-10H2,1H3