(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 3,4,5-trimethoxybenzoate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 3,4,5-trimethoxybenzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3

InChI

InChI=1S/C21H22BrNO6S/c1-25-17-10-13(11-18(26-2)19(17)27-3)21(24)29-16-5-4-14(22)12-15(16)20(30)23-6-8-28-9-7-23/h4-5,10-12H,6-9H2,1-3H3