5-(3-tert-butylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(3-tert-butylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(3-tert-butylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[[3-(tert-butylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(3-tert-butylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-[3-(tert-butylthio)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)(C)SC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

Isomeric SMILES

CC(C)(C)SC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

InChI

InChI=1S/C19H21NO3S/c1-19(2,3)24-13-6-4-5-12(11-13)17(21)16-8-7-15-14(18(22)23)9-10-20(15)16/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)