ethyl 2-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-amino]-5-fluoranyl-6-(4-methylphenyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-amino]-5-fluoranyl-6-(4-methylphenyl)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 2-[(3-ethoxy-3-oxo-propyl)-ethyl-amino]-5-fluoro-6-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(3-ethoxy-3-oxopropyl)-ethylamino]-5-fluoro-6-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethoxy-3-oxopropyl)-ethylamino]-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3-ethoxy-3-keto-propyl)-ethyl-amino]-5-fluoro-6-(p-tolylthio)nicotinic acid ethyl ester Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)C1=NC(=C(C=C1C(=O)OCC)F)SC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CCC(=O)OCC)C1=NC(=C(C=C1C(=O)OCC)F)SC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27FN2O4S/c1-5-25(13-12-19(26)28-6-2)20-17(22(27)29-7-3)14-18(23)21(24-20)30-16-10-8-15(4)9-11-16/h8-11,14H,5-7,12-13H2,1-4H3