prop-2-enyl 2-(3-imidazol-1-ylpropyl)-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-(3-imidazol-1-ylpropyl)-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: allyl 4-benzoylsulfanyl-2-(3-imidazol-1-ylpropyl)pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-[3-(1-imidazolyl)propyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-benzoylsulfanyl-2-(3-imidazol-1-ylpropyl)pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-(3-imidazol-1-ylpropyl)pyrrolidine-1-carboxylic acid allyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CCCN2C=CN=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCOC(=O)N1CC(CC1CCCN2C=CN=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-2-13-27-21(26)24-15-19(28-20(25)17-7-4-3-5-8-17)14-18(24)9-6-11-23-12-10-22-16-23/h2-5,7-8,10,12,16,18-19H,1,6,9,11,13-15H2