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

Systemtic Name: 2-methyl-1-(4-methylsulfanylphenyl)-5-phenyl-pyrrole-3-carboxylate Openeye Name: 2-methyl-1-(4-methylsulfanylphenyl)-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[4-(methylthio)phenyl]-5-phenyl-3-pyrrolecarboxylate IUPAC Name: 2-methyl-1-(4-methylsulfanylphenyl)-5-phenylpyrrole-3-carboxylate Traditional Name: 2-methyl-1-[4-(methylthio)phenyl]-5-phenyl-pyrrole-3-carboxylate Formula: C19H16NO2S- MolecularWeight: 322.40084

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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)/p-1