[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H25NO4S/c1-15-4-6-19(7-5-15)27-9-8-22-20(23)13-26-21(24)14-25-18-11-16(2)10-17(3)12-18/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,22,23)