S-[2-oxidanylidene-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-3-yl] ethanethioate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(C1=O)CC#CCN2CCCC2

Isomeric SMILES

CC(=O)SC1CCN(C1=O)CC#CCN2CCCC2

InChI

InChI=1S/C14H20N2O2S/c1-12(17)19-13-6-11-16(14(13)18)10-5-4-9-15-7-2-3-8-15/h13H,2-3,6-11H2,1H3