5-[4-(2-methylpropylsulfanyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-[4-(2-methylpropylsulfanyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-isobutylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[[4-(2-methylpropylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-[4-(2-methylpropylsulfanyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-[4-(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=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

Isomeric SMILES

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

InChI

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