1-(3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)-4,4,4-tris(fluoranyl)butan-2-ol

Systemtic Name: 1-(3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)-4,4,4-tris(fluoranyl)butan-2-ol Openeye Name: 1-(3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)-4,4,4-trifluoro-butan-2-ol CAS Name: 1-(3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)-4,4,4-trifluoro-2-butanol IUPAC Name: 1-(3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)-4,4,4-trifluorobutan-2-ol Traditional Name: 1-(3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)-4,4,4-trifluoro-butan-2-ol Formula: C22H26F3NO2S MolecularWeight: 425.50755

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CSC2=C(C=C(C=C2)OC)C(N1)C3=CC=CC=C3)CC(CC(F)(F)F)O

Isomeric SMILES

CCC1(CSC2=C(C=C(C=C2)OC)C(N1)C3=CC=CC=C3)CC(CC(F)(F)F)O

InChI

InChI=1S/C22H26F3NO2S/c1-3-21(12-16(27)13-22(23,24)25)14-29-19-10-9-17(28-2)11-18(19)20(26-21)15-7-5-4-6-8-15/h4-11,16,20,26-27H,3,12-14H2,1-2H3