pentyl 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: pentyl 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: pentyl 5-benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-benzoyl-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid pentyl ester IUPAC Name: pentyl 5-benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-benzoyl-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid amyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H25NO3S/c1-3-4-8-13-25-21(24)16-11-12-22-17(16)14-18(26-2)19(22)20(23)15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3