3-(1-benzothiophen-3-yl)-2-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propionic acid Formula: C18H14F3NO5S2 MolecularWeight: 445.43267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H14F3NO5S2/c19-18(20,21)27-12-5-7-13(8-6-12)29(25,26)22-15(17(23)24)9-11-10-28-16-4-2-1-3-14(11)16/h1-8,10,15,22H,9H2,(H,23,24)