[2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(2-methylmorpholin-4-yl)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-(2-methyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-(2-methylmorpholino)ethyl] ester Formula: C17H22BrNO4S MolecularWeight: 416.32988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CC1CN(CCO1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C17H22BrNO4S/c1-11-7-15(12(2)6-14(11)18)24-10-17(21)23-9-16(20)19-4-5-22-13(3)8-19/h6-7,13H,4-5,8-10H2,1-3H3