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

Systemtic Name: nonyl 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 nonyl ester Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3S/c1-3-4-5-6-7-8-12-17-29-25(28)20-15-16-26-21(20)18-22(30-2)23(26)24(27)19-13-10-9-11-14-19/h9-11,13-14,18,20H,3-8,12,15-17H2,1-2H3