1-[3-ethyl-5-(4-fluorophenyl)-4,5-dihydro-2H-1,4-benzothiazepin-3-yl]butan-2-ol

Systemtic Name: 1-[3-ethyl-5-(4-fluorophenyl)-4,5-dihydro-2H-1,4-benzothiazepin-3-yl]butan-2-ol Openeye Name: 1-[3-ethyl-5-(4-fluorophenyl)-4,5-dihydro-2H-1,4-benzothiazepin-3-yl]butan-2-ol CAS Name: 1-[3-ethyl-5-(4-fluorophenyl)-4,5-dihydro-2H-1,4-benzothiazepin-3-yl]-2-butanol IUPAC Name: 1-[3-ethyl-5-(4-fluorophenyl)-4,5-dihydro-2H-1,4-benzothiazepin-3-yl]butan-2-ol Traditional Name: 1-[3-ethyl-5-(4-fluorophenyl)-4,5-dihydro-2H-1,4-benzothiazepin-3-yl]butan-2-ol Formula: C21H26FNOS MolecularWeight: 359.500643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1(CSC2=CC=CC=C2C(N1)C3=CC=C(C=C3)F)CC)O

Isomeric SMILES

CCC(CC1(CSC2=CC=CC=C2C(N1)C3=CC=C(C=C3)F)CC)O

InChI

InChI=1S/C21H26FNOS/c1-3-17(24)13-21(4-2)14-25-19-8-6-5-7-18(19)20(23-21)15-9-11-16(22)12-10-15/h5-12,17,20,23-24H,3-4,13-14H2,1-2H3