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

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H19N3O8S MolecularWeight: 461.44516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O8S/c1-2-30-18-11-13(19(32)21-7-9-29-10-8-21)3-6-17(18)31-20(24)15-5-4-14(22(25)26)12-16(15)23(27)28/h3-6,11-12H,2,7-10H2,1H3