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

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-methoxy-3-nitro-benzamide Formula: C17H15FN2O4S MolecularWeight: 362.375403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCSC3=C2C=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H]2CCSC3=C2C=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN2O4S/c1-24-15-6-5-10(9-14(15)20(22)23)17(21)19-13-7-8-25-16-11(13)3-2-4-12(16)18/h2-6,9,13H,7-8H2,1H3,(H,19,21)/t13-/m0/s1