ethyl 5-[2-(2-fluorophenyl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(2-fluorophenyl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(2-fluorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(2-fluorophenyl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H18FNO3S MolecularWeight: 335.393123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=CC=C2F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=CC=C2F)C

InChI

InChI=1S/C17H18FNO3S/c1-4-22-17(21)15-10(2)16(19-11(15)3)13(20)9-23-14-8-6-5-7-12(14)18/h5-8,19H,4,9H2,1-3H3