5-(3-propan-2-ylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(3-propan-2-ylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(3-isopropylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[oxo-[3-(propan-2-ylthio)phenyl]methyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(3-propan-2-ylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-[3-(isopropylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-11(2)23-13-5-3-4-12(10-13)17(20)16-7-6-15-14(18(21)22)8-9-19(15)16/h3-7,10-11,14H,8-9H2,1-2H3,(H,21,22)