butyl 5-(4-methylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: butyl 5-(4-methylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: butyl 5-(4-methylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[[4-(methylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid butyl ester IUPAC Name: butyl 5-(4-methylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-[4-(methylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid butyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCCOC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H23NO3S/c1-3-4-13-24-20(23)16-11-12-21-17(16)9-10-18(21)19(22)14-5-7-15(25-2)8-6-14/h5-10,16H,3-4,11-13H2,1-2H3