methyl 5-(4-fluorophenyl)sulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(4-fluorophenyl)sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(4-fluorophenyl)sulfanyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(4-fluorophenyl)thio]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-fluorophenyl)sulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(4-fluorophenyl)thio]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C12H10FNO2S MolecularWeight: 251.276703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=C1)SC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CNC(=C1)SC2=CC=C(C=C2)F

InChI

InChI=1S/C12H10FNO2S/c1-16-12(15)8-6-11(14-7-8)17-10-4-2-9(13)3-5-10/h2-7,14H,1H3