[2,6-bis(bromanyl)-4-morpholin-4-ylsulfanylcarbonyl-phenyl] ethanoate

Systemtic Name: [2,6-bis(bromanyl)-4-morpholin-4-ylsulfanylcarbonyl-phenyl] ethanoate Openeye Name: (2,6-dibromo-4-morpholinosulfanylcarbonyl-phenyl) acetate CAS Name: acetic acid [2,6-dibromo-4-[(4-morpholinylthio)-oxomethyl]phenyl] ester IUPAC Name: (2,6-dibromo-4-morpholin-4-ylsulfanylcarbonylphenyl) acetate Traditional Name: acetic acid [2,6-dibromo-4-(morpholinothio)carbonyl-phenyl] ester Formula: C13H13Br2NO4S MolecularWeight: 439.11962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)C(=O)SN2CCOCC2)Br

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)C(=O)SN2CCOCC2)Br

InChI

InChI=1S/C13H13Br2NO4S/c1-8(17)20-12-10(14)6-9(7-11(12)15)13(18)21-16-2-4-19-5-3-16/h6-7H,2-5H2,1H3