N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-2-methoxy-5-nitro-benzamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-2-methoxy-5-nitro-benzamide Formula: C17H15FN2O4S MolecularWeight: 362.375403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N[C@H]2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C17H15FN2O4S/c1-24-15-4-3-11(20(22)23)9-13(15)17(21)19-14-6-7-25-16-5-2-10(18)8-12(14)16/h2-5,8-9,14H,6-7H2,1H3,(H,19,21)/t14-/m0/s1