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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)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-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)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-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H23NO6S/c1-25-17-12-15(13-18-20(17)27-10-9-26-18)21(24)28-14-19(23)22-8-5-11-29-16-6-3-2-4-7-16/h2-4,6-7,12-13H,5,8-11,14H2,1H3,(H,22,23)