3-(1-benzothiophen-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(1-benzothiophen-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(benzothiophen-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(1-benzothiophen-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(1-benzothiophen-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(benzothiophen-2-yl)-1-[3-(trifluoromethyl)benzyl]indole-2-carboxylic acid Formula: C25H16F3NO2S MolecularWeight: 451.46025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=C(N(C4=CC=CC=C43)CC5=CC(=CC=C5)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=C(N(C4=CC=CC=C43)CC5=CC(=CC=C5)C(F)(F)F)C(=O)O

InChI

InChI=1S/C25H16F3NO2S/c26-25(27,28)17-8-5-6-15(12-17)14-29-19-10-3-2-9-18(19)22(23(29)24(30)31)21-13-16-7-1-4-11-20(16)32-21/h1-13H,14H2,(H,30,31)