[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

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