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

Systemtic Name: (2-chloranyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: [2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-chloro-6-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H16Cl2N2O6S MolecularWeight: 471.31114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16Cl2N2O6S/c1-27-16-10-12(18(30)22-4-6-28-7-5-22)8-14(21)17(16)29-19(24)11-2-3-13(20)15(9-11)23(25)26/h2-3,8-10H,4-7H2,1H3