prop-2-enyl 4-ethanoylsulfanyl-2-(pyrimidin-5-ylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-ethanoylsulfanyl-2-(pyrimidin-5-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: allyl 4-acetylsulfanyl-2-(pyrimidin-5-ylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(5-pyrimidinylmethyl)-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-acetylsulfanyl-2-(pyrimidin-5-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(5-pyrimidylmethyl)pyrrolidine-1-carboxylic acid allyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC=C)CC2=CN=CN=C2

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC=C)CC2=CN=CN=C2

InChI

InChI=1S/C15H19N3O3S/c1-3-4-21-15(20)18-9-14(22-11(2)19)6-13(18)5-12-7-16-10-17-8-12/h3,7-8,10,13-14H,1,4-6,9H2,2H3