prop-2-enyl (2S,4S)-2-pyridin-4-yl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-pyridin-4-yl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-(4-pyridyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-pyridin-4-yl-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-pyridin-4-yl-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-(4-pyridyl)pyrrolidine-1-carboxylic acid allyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C2=CC=NC=C2)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1C2=CC=NC=C2)S

InChI

InChI=1S/C13H16N2O2S/c1-2-7-17-13(16)15-9-11(18)8-12(15)10-3-5-14-6-4-10/h2-6,11-12,18H,1,7-9H2/t11-,12-/m0/s1