methyl 4,5-dimethoxy-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C20H23NO5S/c1-13-6-5-7-14(8-13)11-27-12-19(22)21-16-10-18(25-3)17(24-2)9-15(16)20(23)26-4/h5-10H,11-12H2,1-4H3,(H,21,22)