S-[[(2S,3S)-1-methyl-2-pyridin-3-yl-pyrrolidin-3-yl]methyl] ethanethioate

Systemtic Name: S-[[(2S,3S)-1-methyl-2-pyridin-3-yl-pyrrolidin-3-yl]methyl] ethanethioate Openeye Name: S-[[(2S,3S)-1-methyl-2-(3-pyridyl)pyrrolidin-3-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[(2S,3S)-1-methyl-2-(3-pyridinyl)-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[(2S,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[(2S,3S)-1-methyl-2-(3-pyridyl)pyrrolidin-3-yl]methyl] ester Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCN(C1C2=CN=CC=C2)C

Isomeric SMILES

CC(=O)SC[C@H]1CCN([C@@H]1C2=CN=CC=C2)C

InChI

InChI=1S/C13H18N2OS/c1-10(16)17-9-12-5-7-15(2)13(12)11-4-3-6-14-8-11/h3-4,6,8,12-13H,5,7,9H2,1-2H3/t12-,13-/m1/s1