[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)[C@@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C15H18N2O6/c1-2-7-16-15(20)17-13(18)9-22-14(19)12-8-21-10-5-3-4-6-11(10)23-12/h3-6,12H,2,7-9H2,1H3,(H2,16,17,18,20)/t12-/m0/s1