[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H22N2O8S MolecularWeight: 414.43018

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H22N2O8S/c1-2-6-18-17(22)19-15(20)11-27-16(21)5-9-28(23,24)12-3-4-13-14(10-12)26-8-7-25-13/h3-4,10H,2,5-9,11H2,1H3,(H2,18,19,20,22)