1-[2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: 1-[2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: 1-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-[(2,6-dichlorophenyl)methylthio]ethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylate IUPAC Name: 1-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-[(2,6-dichlorobenzyl)thio]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Formula: C21H18Cl2NO2S- MolecularWeight: 419.34412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSCC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1CCSCC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H19Cl2NO2S/c1-14-16(21(25)26)12-20(15-6-3-2-4-7-15)24(14)10-11-27-13-17-18(22)8-5-9-19(17)23/h2-9,12H,10-11,13H2,1H3,(H,25,26)/p-1