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

Systemtic Name: ethyl 2-[cyclopropyl-(3-ethoxy-3-oxidanylidene-propyl)amino]-5-fluoranyl-6-(4-methylphenyl)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 2-[cyclopropyl-(3-ethoxy-3-oxo-propyl)amino]-5-fluoro-6-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-5-fluoro-6-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[cyclopropyl-(3-ethoxy-3-keto-propyl)amino]-5-fluoro-6-(p-tolylthio)nicotinic acid ethyl ester Formula: C23H27FN2O4S MolecularWeight: 446.534883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CC1)C2=NC(=C(C=C2C(=O)OCC)F)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCN(C1CC1)C2=NC(=C(C=C2C(=O)OCC)F)SC3=CC=C(C=C3)C

InChI

InChI=1S/C23H27FN2O4S/c1-4-29-20(27)12-13-26(16-8-9-16)21-18(23(28)30-5-2)14-19(24)22(25-21)31-17-10-6-15(3)7-11-17/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3