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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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