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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=CC=C(C=C2)F)C

InChI

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