(2-bromanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-nitrobenzoate

Systemtic Name: (2-bromanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-nitrobenzoate Openeye Name: [2-bromo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-bromo-6-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-bromo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H17BrN2O6S MolecularWeight: 481.31708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O6S/c1-26-16-11-13(18(29)21-6-8-27-9-7-21)10-15(20)17(16)28-19(23)12-2-4-14(5-3-12)22(24)25/h2-5,10-11H,6-9H2,1H3