5-[2-(2-methylpropylsulfanyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-[2-(2-methylpropylsulfanyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(2-isobutylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[[2-(2-methylpropylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-[2-(2-methylpropylsulfanyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-[2-(isobutylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)O

Isomeric SMILES

CC(C)CSC1=CC=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)O

InChI

InChI=1S/C19H21NO3S/c1-12(2)11-24-17-6-4-3-5-14(17)18(21)16-8-7-15-13(19(22)23)9-10-20(15)16/h3-8,12-13H,9-11H2,1-2H3,(H,22,23)