[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(2,6-dimethylphenoxy)ethanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(2,6-dimethylphenoxy)ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-(2,6-dimethylphenoxy)acetate CAS Name: 2-(2,6-dimethylphenoxy)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate Traditional Name: 2-(2,6-dimethylphenoxy)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C

InChI

InChI=1S/C21H23NO5S/c1-13-6-5-7-14(2)21(13)27-12-20(25)26-11-18(24)16-8-9-19(28-4)17(10-16)22-15(3)23/h5-10H,11-12H2,1-4H3,(H,22,23)