[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-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=C(C(=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)OC)OC

InChI

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