prop-2-enyl 2-[2-(4-aminocarbonylimidazol-1-yl)ethyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-[2-(4-aminocarbonylimidazol-1-yl)ethyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: allyl 4-benzoylsulfanyl-2-[2-(4-carbamoylimidazol-1-yl)ethyl]pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-[2-(4-carbamoyl-1-imidazolyl)ethyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-benzoylsulfanyl-2-[2-(4-carbamoylimidazol-1-yl)ethyl]pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-[2-(4-carbamoylimidazol-1-yl)ethyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CCN2C=C(N=C2)C(=O)N)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCOC(=O)N1CC(CC1CCN2C=C(N=C2)C(=O)N)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4S/c1-2-10-29-21(28)25-12-17(30-20(27)15-6-4-3-5-7-15)11-16(25)8-9-24-13-18(19(22)26)23-14-24/h2-7,13-14,16-17H,1,8-12H2,(H2,22,26)