[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(4-chloranyl-2-methyl-phenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(4-chloranyl-2-methyl-phenoxy)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-(4-chloro-2-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-15-11-17(21)7-8-18(15)25-13-20(24)26-12-19(23)22-9-10-27-14-16-5-3-2-4-6-16/h2-8,11H,9-10,12-14H2,1H3,(H,22,23)