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

Systemtic Name: (2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-chloro-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H18Cl2N2O6S MolecularWeight: 485.33772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O6S/c1-2-29-17-11-13(19(31)23-5-7-28-8-6-23)9-15(22)18(17)30-20(25)12-3-4-14(21)16(10-12)24(26)27/h3-4,9-11H,2,5-8H2,1H3