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

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 3,5-dimethoxybenzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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