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

Systemtic Name: hexyl 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-3-4-5-9-14-26-22(25)17-12-13-23-18(17)15-19(27-2)20(23)21(24)16-10-7-6-8-11-16/h6-8,10-11,15,17H,3-5,9,12-14H2,1-2H3