2-[2-oxidanylidene-1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[2-oxidanylidene-1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[2-oxo-1-[4-(1-piperidyl)but-2-ynyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[2-oxo-1-[4-(1-piperidinyl)but-2-ynyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[2-oxo-1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[2-keto-1-(4-piperidinobut-2-ynyl)pyrrolidin-3-yl]thioacetic acid Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCN2CCC(C2=O)CC(=O)S

Isomeric SMILES

C1CCN(CC1)CC#CCN2CCC(C2=O)CC(=O)S

InChI

InChI=1S/C15H22N2O2S/c18-14(20)12-13-6-11-17(15(13)19)10-5-4-9-16-7-2-1-3-8-16/h13H,1-3,6-12H2,(H,18,20)