[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-14-7-5-6-8-18(14)29-13-20(24)28-12-19(23)22-11-15-9-16(25-2)21(27-4)17(10-15)26-3/h5-10H,11-13H2,1-4H3,(H,22,23)