(2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 4-nitrobenzoate

Systemtic Name: (2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 4-nitrobenzoate Openeye Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methoxy-5-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6S/c1-25-16-7-4-14(18(28)20-8-10-26-11-9-20)12-17(16)27-19(22)13-2-5-15(6-3-13)21(23)24/h2-7,12H,8-11H2,1H3