4-[(2S)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol

Systemtic Name: 4-[(2S)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol Openeye Name: 4-[(2S)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol CAS Name: 4-[(2S)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol IUPAC Name: 4-[(2S)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol Traditional Name: 4-[(2S)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol Formula: C21H16BrNOS MolecularWeight: 410.32684

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)Br)C4=CC=C(C=C4)O

Isomeric SMILES

C1[C@H](SC2=CC=CC=C2N=C1C3=CC=C(C=C3)Br)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H16BrNOS/c22-16-9-5-14(6-10-16)19-13-21(15-7-11-17(24)12-8-15)25-20-4-2-1-3-18(20)23-19/h1-12,21,24H,13H2/t21-/m0/s1