[4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate

Systemtic Name: [4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate Openeye Name: [4-[2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]acetyl]-2-methylsulfanyl-phenyl] acetate CAS Name: acetic acid [4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-oxoethyl]-2-(methylthio)phenyl] ester IUPAC Name: [4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]acetyl]-2-methylsulfanylphenyl] acetate Traditional Name: acetic acid [4-[2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]acetyl]-2-(methylthio)phenyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC

InChI

InChI=1S/C22H27NO5S/c1-14(10-16-6-8-19(26-3)21(11-16)27-4)23-13-18(25)17-7-9-20(28-15(2)24)22(12-17)29-5/h6-9,11-12,14,23H,10,13H2,1-5H3