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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S/c22-19(21-10-11-27-14-15-6-2-1-3-7-15)13-25-20(23)18-12-24-16-8-4-5-9-17(16)26-18/h1-9,18H,10-14H2,(H,21,22)/t18-/m1/s1