[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-(3-pyridin-2-ylsulfanylpropanethioylamino)hexanoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-(3-pyridin-2-ylsulfanylpropanethioylamino)hexanoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) 6-[3-(2-pyridylsulfanyl)propanethioylamino]hexanoate CAS Name: 6-[[3-(2-pyridinylthio)-1-sulfanylidenepropyl]amino]hexanoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-(3-pyridin-2-ylsulfanylpropanethioylamino)hexanoate Traditional Name: 6-[3-(2-pyridylthio)propanethioylamino]hexanoic acid succinimido ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=S)CCSC2=CC=CC=N2

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=S)CCSC2=CC=CC=N2

InChI

InChI=1S/C18H23N3O4S2/c22-16-8-9-17(23)21(16)25-18(24)7-2-1-4-11-19-14(26)10-13-27-15-6-3-5-12-20-15/h3,5-6,12H,1-2,4,7-11,13H2,(H,19,26)