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

Systemtic Name: 2-[1-[4-(dimethylamino)but-2-ynyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-[4-(dimethylamino)but-2-ynyl]-2-oxo-pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[1-[4-(dimethylamino)but-2-ynyl]-2-oxo-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[1-[4-(dimethylamino)but-2-ynyl]-2-oxopyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-[4-(dimethylamino)but-2-ynyl]-2-keto-pyrrolidin-3-yl]thioacetic acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CCN1CCC(C1=O)CC(=O)S

Isomeric SMILES

CN(C)CC#CCN1CCC(C1=O)CC(=O)S

InChI

InChI=1S/C12H18N2O2S/c1-13(2)6-3-4-7-14-8-5-10(12(14)16)9-11(15)17/h10H,5-9H2,1-2H3,(H,15,17)