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

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-3-methyl-4-nitro-benzamide Formula: C17H15FN2O3S MolecularWeight: 346.376003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@H]2CCSC3=C2C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN2O3S/c1-10-8-11(2-4-15(10)20(22)23)17(21)19-14-6-7-24-16-5-3-12(18)9-13(14)16/h2-5,8-9,14H,6-7H2,1H3,(H,19,21)/t14-/m0/s1