[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C19H26BrNO3S MolecularWeight: 428.38364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C

InChI

InChI=1S/C19H26BrNO3S/c1-12-9-17(13(2)8-16(12)20)25-11-19(23)24-10-18(22)21-14(3)6-5-7-15(21)4/h8-9,14-15H,5-7,10-11H2,1-4H3