prop-2-enyl 4-(phenylcarbonylsulfanyl)-2-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-(phenylcarbonylsulfanyl)-2-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: allyl 4-benzoylsulfanyl-2-(4-pyridylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-(pyridin-4-ylmethyl)-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-benzoylsulfanyl-2-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-(4-pyridylmethyl)pyrrolidine-1-carboxylic acid allyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CC2=CC=NC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCOC(=O)N1CC(CC1CC2=CC=NC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-2-12-26-21(25)23-15-19(27-20(24)17-6-4-3-5-7-17)14-18(23)13-16-8-10-22-11-9-16/h2-11,18-19H,1,12-15H2