[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate CAS Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate Traditional Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)COC1=CC=CC=C1C2SCCS2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)COC1=CC=CC=C1C2SCCS2

InChI

InChI=1S/C17H22N2O5S2/c1-2-7-18-17(22)19-14(20)10-24-15(21)11-23-13-6-4-3-5-12(13)16-25-8-9-26-16/h3-6,16H,2,7-11H2,1H3,(H2,18,19,20,22)