2-methyl-1-(4-methylsulfanylphenyl)-5-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-methyl-1-(4-methylsulfanylphenyl)-5-phenyl-pyrrole-3-carboxylic acid Openeye Name: 2-methyl-1-(4-methylsulfanylphenyl)-5-phenyl-pyrrole-3-carboxylic acid CAS Name: 2-methyl-1-[4-(methylthio)phenyl]-5-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-1-(4-methylsulfanylphenyl)-5-phenylpyrrole-3-carboxylic acid Traditional Name: 2-methyl-1-[4-(methylthio)phenyl]-5-phenyl-pyrrole-3-carboxylic acid Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=C(C=C2)SC)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C2=CC=C(C=C2)SC)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H17NO2S/c1-13-17(19(21)22)12-18(14-6-4-3-5-7-14)20(13)15-8-10-16(23-2)11-9-15/h3-12H,1-2H3,(H,21,22)