3-[[2-[4-methyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid

Systemtic Name: 3-[[2-[4-methyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[2-[4-methyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[2-[4-methyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-[4-methyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[2-[4-methyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C20H18F3NO2S MolecularWeight: 393.42263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C20H18F3NO2S/c1-12-2-4-14(9-16(12)20(21,22)23)18-10-15-8-13(3-5-17(15)27-18)11-24-7-6-19(25)26/h2-5,8-10,24H,6-7,11H2,1H3,(H,25,26)