(2-bromanyl-4-morpholin-4-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate

Systemtic Name: (2-bromanyl-4-morpholin-4-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate Openeye Name: [2-bromo-4-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-bromo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-4-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-bromo-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)Br)OC

InChI

InChI=1S/C20H20BrNO5S/c1-24-17-6-4-14(12-18(17)25-2)20(23)27-16-5-3-13(11-15(16)21)19(28)22-7-9-26-10-8-22/h3-6,11-12H,7-10H2,1-2H3