ethyl 6-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[(6-fluorothiochroman-4-yl)amino]pyridine-3-carboxylate CAS Name: 6-[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridine-3-carboxylate Traditional Name: 6-[(6-fluorothiochroman-4-yl)amino]nicotinic acid ethyl ester Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NC2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C17H17FN2O2S/c1-2-22-17(21)11-3-6-16(19-10-11)20-14-7-8-23-15-5-4-12(18)9-13(14)15/h3-6,9-10,14H,2,7-8H2,1H3,(H,19,20)