3-ethyl-5-phenyl-3-[(E)-4,4,4-tris(fluoranyl)but-1-enyl]-2H-1,4-benzothiazepine

Systemtic Name: 3-ethyl-5-phenyl-3-[(E)-4,4,4-tris(fluoranyl)but-1-enyl]-2H-1,4-benzothiazepine Openeye Name: 3-ethyl-5-phenyl-3-[(E)-4,4,4-trifluorobut-1-enyl]-2H-1,4-benzothiazepine CAS Name: 3-ethyl-5-phenyl-3-[(E)-4,4,4-trifluorobut-1-enyl]-2H-1,4-benzothiazepine IUPAC Name: 3-ethyl-5-phenyl-3-[(E)-4,4,4-trifluorobut-1-enyl]-2H-1,4-benzothiazepine Traditional Name: 3-ethyl-5-phenyl-3-[(E)-4,4,4-trifluorobut-1-enyl]-2H-1,4-benzothiazepine Formula: C21H20F3NS MolecularWeight: 375.45041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CSC2=CC=CC=C2C(=N1)C3=CC=CC=C3)C=CCC(F)(F)F

Isomeric SMILES

CCC1(CSC2=CC=CC=C2C(=N1)C3=CC=CC=C3)/C=C/CC(F)(F)F

InChI

InChI=1S/C21H20F3NS/c1-2-20(13-8-14-21(22,23)24)15-26-18-12-7-6-11-17(18)19(25-20)16-9-4-3-5-10-16/h3-13H,2,14-15H2,1H3/b13-8+