[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-(2-methoxyphenoxy)propanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-(2-methoxyphenoxy)propanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 3-(2-methoxyphenoxy)propanoate CAS Name: 3-(2-methoxyphenoxy)propanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate Traditional Name: 3-(2-methoxyphenoxy)propionic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CCOC2=CC=CC=C2OC)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CCOC2=CC=CC=C2OC)SC

InChI

InChI=1S/C21H23NO6S/c1-14(23)22-16-12-15(8-9-20(16)29-3)17(24)13-28-21(25)10-11-27-19-7-5-4-6-18(19)26-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,23)