prop-2-enyl 4-ethanoylsulfanyl-2-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-ethanoylsulfanyl-2-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxylate Openeye Name: allyl 4-acetylsulfanyl-2-[2-(4-pyridyl)ethyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(2-pyridin-4-ylethyl)-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-acetylsulfanyl-2-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[2-(4-pyridyl)ethyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC=C)CCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC=C)CCC2=CC=NC=C2

InChI

InChI=1S/C17H22N2O3S/c1-3-10-22-17(21)19-12-16(23-13(2)20)11-15(19)5-4-14-6-8-18-9-7-14/h3,6-9,15-16H,1,4-5,10-12H2,2H3