methyl 2-(3-methyl-4-methylsulfanyl-phenoxy)-3-(phenylsulfonylamino)propanoate

Systemtic Name: methyl 2-(3-methyl-4-methylsulfanyl-phenoxy)-3-(phenylsulfonylamino)propanoate Openeye Name: methyl 3-(benzenesulfonamido)-2-(3-methyl-4-methylsulfanyl-phenoxy)propanoate CAS Name: 3-(benzenesulfonamido)-2-[3-methyl-4-(methylthio)phenoxy]propanoic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonamido)-2-(3-methyl-4-methylsulfanylphenoxy)propanoate Traditional Name: 3-(benzenesulfonamido)-2-[3-methyl-4-(methylthio)phenoxy]propionic acid methyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S2/c1-13-11-14(9-10-17(13)25-3)24-16(18(20)23-2)12-19-26(21,22)15-7-5-4-6-8-15/h4-11,16,19H,12H2,1-3H3