prop-2-enyl 2-[(1-methylpyrazol-4-yl)methyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-[(1-methylpyrazol-4-yl)methyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: allyl 4-benzoylsulfanyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-[(1-methyl-4-pyrazolyl)methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-benzoylsulfanyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC2CC(CN2C(=O)OCC=C)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)CC2CC(CN2C(=O)OCC=C)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-3-9-26-20(25)23-14-18(27-19(24)16-7-5-4-6-8-16)11-17(23)10-15-12-21-22(2)13-15/h3-8,12-13,17-18H,1,9-11,14H2,2H3