[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(2,4,6-trimethylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(2,4,6-trimethylphenoxy)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(2,4,6-trimethylphenoxy)acetate CAS Name: 2-(2,4,6-trimethylphenoxy)acetic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(2,4,6-trimethylphenoxy)acetate Traditional Name: 2-(2,4,6-trimethylphenoxy)acetic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)NCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)NCCSC2=CC=CC=C2)C

InChI

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