5-tert-butyl-1-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-1-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-tert-butyl-1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-2-methyl-pyrrole-3-carboxylic acid Formula: C19H23ClFNO2S MolecularWeight: 383.907823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSCC2=C(C=CC=C2Cl)F)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCSCC2=C(C=CC=C2Cl)F)C(C)(C)C)C(=O)O

InChI

InChI=1S/C19H23ClFNO2S/c1-12-13(18(23)24)10-17(19(2,3)4)22(12)8-9-25-11-14-15(20)6-5-7-16(14)21/h5-7,10H,8-9,11H2,1-4H3,(H,23,24)