[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6S/c1-24-16-11-14(12-17-19(16)26-9-8-25-17)20(23)27-13-18(22)21-7-10-28-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,21,22)