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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-13(2)12-24-20(23)16-10-11-21-17(16)8-9-18(21)19(22)14-4-6-15(25-3)7-5-14/h4-9,13,16H,10-12H2,1-3H3