2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C19H18FN5OS MolecularWeight: 383.442523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN5OS/c1-13-10-11-24(16-4-2-3-5-17(16)27-13)18(26)12-25-22-19(21-23-25)14-6-8-15(20)9-7-14/h2-9,13H,10-12H2,1H3/t13-/m0/s1