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

Systemtic Name: 2-chloranyl-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(4S)-6-fluorothiochroman-4-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(4S)-6-fluorothiochroman-4-yl]-4-nitro-benzamide Formula: C16H12ClFN2O3S MolecularWeight: 366.794483

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C=C(C=C2)F

InChI

InChI=1S/C16H12ClFN2O3S/c17-13-8-10(20(22)23)2-3-11(13)16(21)19-14-5-6-24-15-4-1-9(18)7-12(14)15/h1-4,7-8,14H,5-6H2,(H,19,21)/t14-/m0/s1