[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-[methyl(veratryl)amino]ethyl] ester Formula: C22H26BrNO5S MolecularWeight: 496.41454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N(C)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N(C)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H26BrNO5S/c1-14-9-20(15(2)8-17(14)23)30-13-22(26)29-12-21(25)24(3)11-16-6-7-18(27-4)19(10-16)28-5/h6-10H,11-13H2,1-5H3