[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NCCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NCCCSC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO4S/c1-16-11-17(2)13-18(12-16)25-15-21(24)26-14-20(23)22-9-6-10-27-19-7-4-3-5-8-19/h3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,22,23)