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

Systemtic Name: 2-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylic acid Openeye Name: 2-(2-benzylsulfanyl-5-chloro-phenyl)indolizine-1-carboxylic acid CAS Name: 2-[5-chloro-2-(phenylmethylthio)phenyl]-1-indolizinecarboxylic acid IUPAC Name: 2-(2-benzylsulfanyl-5-chlorophenyl)indolizine-1-carboxylic acid Traditional Name: 2-[2-(benzylthio)-5-chloro-phenyl]indolizine-1-carboxylic acid Formula: C22H16ClNO2S MolecularWeight: 393.88594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClNO2S/c23-16-9-10-20(27-14-15-6-2-1-3-7-15)17(12-16)18-13-24-11-5-4-8-19(24)21(18)22(25)26/h1-13H,14H2,(H,25,26)