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

Systemtic Name: 5-[3-(2-methylpropylsulfanyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(3-isobutylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[[3-(2-methylpropylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-[3-(2-methylpropylsulfanyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-[3-(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(=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

Isomeric SMILES

CC(C)CSC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

InChI

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