methyl 1-(2-pyridin-4-ylsulfanylethanoyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(2-pyridin-4-ylsulfanylethanoyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(4-pyridylsulfanyl)acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylate Traditional Name: 1-[2-(4-pyridylthio)acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)CSC2=CC=NC=C2

Isomeric SMILES

COC(=O)C1CCCN1C(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C13H16N2O3S/c1-18-13(17)11-3-2-8-15(11)12(16)9-19-10-4-6-14-7-5-10/h4-7,11H,2-3,8-9H2,1H3