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

Systemtic Name: ethyl 5-[2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2,5-difluorophenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(2,5-difluorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2,5-difluorophenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(2,5-difluorophenyl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H17F2NO3S MolecularWeight: 353.383586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=C(C=CC(=C2)F)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=C(C=CC(=C2)F)F)C

InChI

InChI=1S/C17H17F2NO3S/c1-4-23-17(22)15-9(2)16(20-10(15)3)13(21)8-24-14-7-11(18)5-6-12(14)19/h5-7,20H,4,8H2,1-3H3