2-[4-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylic acid

Systemtic Name: 2-[4-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylic acid Openeye Name: 2-(4-benzylsulfanylphenyl)indolizine-1-carboxylic acid CAS Name: 2-[4-(phenylmethylthio)phenyl]-1-indolizinecarboxylic acid IUPAC Name: 2-(4-benzylsulfanylphenyl)indolizine-1-carboxylic acid Traditional Name: 2-[4-(benzylthio)phenyl]indolizine-1-carboxylic acid Formula: C22H17NO2S MolecularWeight: 359.44088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C3=CN4C=CC=CC4=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C3=CN4C=CC=CC4=C3C(=O)O

InChI

InChI=1S/C22H17NO2S/c24-22(25)21-19(14-23-13-5-4-8-20(21)23)17-9-11-18(12-10-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)