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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCN2CCC(C2=O)CC(=O)S

Isomeric SMILES

C1CCN(C1)CC#CCN2CCC(C2=O)CC(=O)S

InChI

InChI=1S/C14H20N2O2S/c17-13(19)11-12-5-10-16(14(12)18)9-4-3-8-15-6-1-2-7-15/h12H,1-2,5-11H2,(H,17,19)