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

Systemtic Name: (2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-nitrobenzoate Openeye Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-bromo-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O6S/c1-2-28-17-12-14(19(30)22-7-9-27-10-8-22)11-16(21)18(17)29-20(24)13-3-5-15(6-4-13)23(25)26/h3-6,11-12H,2,7-10H2,1H3