2-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide

Systemtic Name: 2-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide Openeye Name: 2-[(8-fluorothiochroman-4-yl)amino]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide CAS Name: 2-[(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide IUPAC Name: 2-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide Traditional Name: 2-[(8-fluorothiochroman-4-yl)amino]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)NC3CCSC4=C3C=CC=C4F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)NC3CCSC4=C3C=CC=C4F

InChI

InChI=1S/C21H20FN3O2S/c1-13-12-18(25-27-13)24-21(26)19(14-6-3-2-4-7-14)23-17-10-11-28-20-15(17)8-5-9-16(20)22/h2-9,12,17,19,23H,10-11H2,1H3,(H,24,25,26)