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

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H23NO6S/c1-24-16-9-13(10-17(25-2)19(16)26-3)11-21-18(22)12-27-20(23)14-5-7-15(28-4)8-6-14/h5-10H,11-12H2,1-4H3,(H,21,22)