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

Systemtic Name: dodecyl 6-methylsulfanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C28H39NO3S MolecularWeight: 469.67916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO3S/c1-3-4-5-6-7-8-9-10-11-15-20-32-28(31)23-18-19-29-24(23)21-25(33-2)26(29)27(30)22-16-13-12-14-17-22/h12-14,16-17,21,23H,3-11,15,18-20H2,1-2H3