[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)OC)OC

InChI

InChI=1S/C20H23NO6S/c1-24-16-12-18(26-3)17(25-2)11-15(16)20(23)27-13-19(22)21-9-10-28-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)