[2-oxidanylidene-2-(phenethylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S/c22-19(21-9-8-15-4-2-1-3-5-15)13-26-20(23)14-27-16-6-7-17-18(12-16)25-11-10-24-17/h1-7,12H,8-11,13-14H2,(H,21,22)