(2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 3-nitrobenzoate Openeye Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-methoxy-5-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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