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

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-3-[4-(4-methoxyphenyl)-3-oxo-quinoxalin-2-yl]propanamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]propanamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-3-[3-keto-4-(4-methoxyphenyl)quinoxalin-2-yl]propionamide Formula: C27H24FN3O3S MolecularWeight: 489.561163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)NC4CCSC5=C4C=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N[C@H]4CCSC5=C4C=C(C=C5)F

InChI

InChI=1S/C27H24FN3O3S/c1-34-19-9-7-18(8-10-19)31-24-5-3-2-4-22(24)29-23(27(31)33)11-13-26(32)30-21-14-15-35-25-12-6-17(28)16-20(21)25/h2-10,12,16,21H,11,13-15H2,1H3,(H,30,32)/t21-/m0/s1