2-[5-methyl-2-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylic acid

Systemtic Name: 2-[5-methyl-2-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylic acid Openeye Name: 2-(2-benzylsulfanyl-5-methyl-phenyl)indolizine-1-carboxylic acid CAS Name: 2-[5-methyl-2-(phenylmethylthio)phenyl]-1-indolizinecarboxylic acid IUPAC Name: 2-(2-benzylsulfanyl-5-methylphenyl)indolizine-1-carboxylic acid Traditional Name: 2-[2-(benzylthio)-5-methyl-phenyl]indolizine-1-carboxylic acid Formula: C23H19NO2S MolecularWeight: 373.46746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC=C2)C3=CN4C=CC=CC4=C3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC=C2)C3=CN4C=CC=CC4=C3C(=O)O

InChI

InChI=1S/C23H19NO2S/c1-16-10-11-21(27-15-17-7-3-2-4-8-17)18(13-16)19-14-24-12-6-5-9-20(24)22(19)23(25)26/h2-14H,15H2,1H3,(H,25,26)