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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate CAS Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate Traditional Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=CC=C2OCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CSC(S1)C2=CC=CC=C2OCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H18N2O4S2/c17-6-3-7-18-14(19)10-22-15(20)11-21-13-5-2-1-4-12(13)16-23-8-9-24-16/h1-2,4-5,16H,3,7-11H2,(H,18,19)