3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide

Systemtic Name: 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide Openeye Name: 3-(4,5-diphenyloxazol-2-yl)-N-(6-fluorothiochroman-4-yl)propanamide CAS Name: 3-(4,5-diphenyl-2-oxazolyl)-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)propanamide IUPAC Name: 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide Traditional Name: 3-(4,5-diphenyloxazol-2-yl)-N-(6-fluorothiochroman-4-yl)propionamide Formula: C27H23FN2O2S MolecularWeight: 458.547123

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)F

InChI

InChI=1S/C27H23FN2O2S/c28-20-11-12-23-21(17-20)22(15-16-33-23)29-24(31)13-14-25-30-26(18-7-3-1-4-8-18)27(32-25)19-9-5-2-6-10-19/h1-12,17,22H,13-16H2,(H,29,31)