methyl 3-(3,4-dimethoxyphenyl)-3-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[2-(p-tolylmethylsulfanyl)acetyl]amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[[2-[(4-methylbenzyl)thio]acetyl]amino]propionic acid methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-15-5-7-16(8-6-15)13-29-14-21(24)23-18(12-22(25)28-4)17-9-10-19(26-2)20(11-17)27-3/h5-11,18H,12-14H2,1-4H3,(H,23,24)