[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC(C)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NC(C)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C21H25NO5S/c1-14-7-5-6-8-19(14)28-13-21(24)27-12-20(23)22-15(2)17-11-16(25-3)9-10-18(17)26-4/h5-11,15H,12-13H2,1-4H3,(H,22,23)