N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-nitro-benzamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-nitro-benzamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-3-nitro-benzamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-nitrobenzamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-nitrobenzamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-3-nitro-benzamide Formula: C16H13FN2O3S MolecularWeight: 332.349423

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C=CC=C2F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C=CC=C2F

InChI

InChI=1S/C16H13FN2O3S/c17-13-6-2-5-12-14(7-8-23-15(12)13)18-16(20)10-3-1-4-11(9-10)19(21)22/h1-6,9,14H,7-8H2,(H,18,20)/t14-/m0/s1