[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(4-chloro-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)acetic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)acetic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OCC(=O)NCCSC2=CC=CC=C2)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OCC(=O)NCCSC2=CC=CC=C2)C)Cl

InChI

InChI=1S/C20H22ClNO4S/c1-14-10-16(21)11-15(2)20(14)26-13-19(24)25-12-18(23)22-8-9-27-17-6-4-3-5-7-17/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,23)