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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-[2-(benzylthio)ethylamino]-2-keto-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)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NCCSCC2=CC=CC=C2)C

InChI

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