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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-23-16-9-8-14(12-17(16)24-2)19(22)25-13-18(21)20-10-11-26-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)