methyl 6-methylsulfanyl-5-(4-propylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 6-methylsulfanyl-5-(4-propylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 6-methylsulfanyl-5-(4-propylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-(methylthio)-5-[oxo-(4-propylphenyl)methyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 6-methylsulfanyl-5-(4-propylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-(methylthio)-5-(4-propylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)OC)SC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)OC)SC

InChI

InChI=1S/C20H23NO3S/c1-4-5-13-6-8-14(9-7-13)19(22)18-17(25-3)12-16-15(20(23)24-2)10-11-21(16)18/h6-9,12,15H,4-5,10-11H2,1-3H3