2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrole-3-carboxylate

Systemtic Name: 2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrole-3-carboxylate Openeye Name: 2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolecarboxylate IUPAC Name: 2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrole-3-carboxylate Formula: C14H14NO2S- MolecularWeight: 260.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)[O-]

InChI

InChI=1S/C14H15NO2S/c1-9-7-13(14(16)17)10(2)15(9)11-5-4-6-12(8-11)18-3/h4-8H,1-3H3,(H,16,17)/p-1