3-[[2-[2-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid

Systemtic Name: 3-[[2-[2-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[2-[2-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[2-[2-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-[2-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[2-[2-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C19H16F3NO2S MolecularWeight: 379.39605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C19H16F3NO2S/c20-19(21,22)15-4-2-1-3-14(15)17-10-13-9-12(5-6-16(13)26-17)11-23-8-7-18(24)25/h1-6,9-10,23H,7-8,11H2,(H,24,25)