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

Systemtic Name: 5-(3-ethylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(3-ethylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[[3-(ethylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(3-ethylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-[3-(ethylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-2-22-12-5-3-4-11(10-12)16(19)15-7-6-14-13(17(20)21)8-9-18(14)15/h3-7,10,13H,2,8-9H2,1H3,(H,20,21)