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

Systemtic Name: octyl 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3S/c1-3-4-5-6-7-11-16-28-24(27)19-14-15-25-20(19)17-21(29-2)22(25)23(26)18-12-9-8-10-13-18/h8-10,12-13,17,19H,3-7,11,14-16H2,1-2H3