(2-ethoxy-6-iodanyl-4-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate

Systemtic Name: (2-ethoxy-6-iodanyl-4-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate Openeye Name: [2-ethoxy-6-iodo-4-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-ethoxy-6-iodo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-6-iodo-4-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-ethoxy-6-iodo-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H18IN3O8S MolecularWeight: 587.34169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18IN3O8S/c1-2-31-17-10-12(19(33)22-5-7-30-8-6-22)9-15(21)18(17)32-20(25)14-4-3-13(23(26)27)11-16(14)24(28)29/h3-4,9-11H,2,5-8H2,1H3