methyl 4-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(methylthio)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-(methylthio)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H12ClNO2S MolecularWeight: 281.75788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C13H12ClNO2S/c1-17-13(16)11-12(18-2)10(7-15-11)8-3-5-9(14)6-4-8/h3-7,15H,1-2H3