N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-oxo-4-phenethylquinoxalin-2-yl)propanamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionamide Formula: C28H26FN3O2S MolecularWeight: 487.588343

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5)C=C(C=C2)F

InChI

InChI=1S/C28H26FN3O2S/c29-20-10-12-26-21(18-20)22(15-17-35-26)31-27(33)13-11-24-28(34)32(16-14-19-6-2-1-3-7-19)25-9-5-4-8-23(25)30-24/h1-10,12,18,22H,11,13-17H2,(H,31,33)/t22-/m0/s1