[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylphenoxy)butanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylphenoxy)butanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C21H23NO5S/c1-15(23)16-8-10-18(11-9-16)26-12-4-7-21(25)27-14-20(24)22-17-5-3-6-19(13-17)28-2/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,22,24)