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

Systemtic Name: ethyl 2-[cyclopropyl-(3-ethoxy-3-oxidanylidene-propyl)amino]-5-fluoranyl-6-(4-methylphenyl)sulfonyl-pyridine-3-carboxylate Openeye Name: ethyl 2-[cyclopropyl-(3-ethoxy-3-oxo-propyl)amino]-5-fluoro-6-(p-tolylsulfonyl)pyridine-3-carboxylate CAS Name: 2-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-5-fluoro-6-(4-methylphenyl)sulfonyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-5-fluoro-6-(4-methylphenyl)sulfonylpyridine-3-carboxylate Traditional Name: 2-[cyclopropyl-(3-ethoxy-3-keto-propyl)amino]-5-fluoro-6-tosyl-nicotinic acid ethyl ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O6S/c1-4-31-20(27)12-13-26(16-8-9-16)21-18(23(28)32-5-2)14-19(24)22(25-21)33(29,30)17-10-6-15(3)7-11-17/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3