O-(4-pyrrolidin-1-ylbut-2-ynyl) 2-oxidanylidene-2-pyrrolidin-3-yl-ethanethioate

Systemtic Name: O-(4-pyrrolidin-1-ylbut-2-ynyl) 2-oxidanylidene-2-pyrrolidin-3-yl-ethanethioate Openeye Name: O-(4-pyrrolidin-1-ylbut-2-ynyl) 2-oxo-2-pyrrolidin-3-yl-ethanethioate CAS Name: 2-oxo-2-(3-pyrrolidinyl)ethanethioic acid O-[4-(1-pyrrolidinyl)but-2-ynyl] ester IUPAC Name: O-(4-pyrrolidin-1-ylbut-2-ynyl) 2-oxo-2-pyrrolidin-3-ylethanethioate Traditional Name: 2-keto-2-pyrrolidin-3-yl-ethanethioic acid O-(4-pyrrolidinobut-2-ynyl) ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCOC(=S)C(=O)C2CCNC2

Isomeric SMILES

C1CCN(C1)CC#CCOC(=S)C(=O)C2CCNC2

InChI

InChI=1S/C14H20N2O2S/c17-13(12-5-6-15-11-12)14(19)18-10-4-3-9-16-7-1-2-8-16/h12,15H,1-2,5-11H2