2-methyl-1-(2-methylsulfanylethyl)-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: 2-methyl-1-(2-methylsulfanylethyl)-5-phenyl-pyrrole-3-carboxylate Openeye Name: 2-methyl-1-(2-methylsulfanylethyl)-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[2-(methylthio)ethyl]-5-phenyl-3-pyrrolecarboxylate IUPAC Name: 2-methyl-1-(2-methylsulfanylethyl)-5-phenylpyrrole-3-carboxylate Traditional Name: 2-methyl-1-[2-(methylthio)ethyl]-5-phenyl-pyrrole-3-carboxylate Formula: C15H16NO2S- MolecularWeight: 274.35804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSC)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1CCSC)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H17NO2S/c1-11-13(15(17)18)10-14(16(11)8-9-19-2)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,18)/p-1