2-(1-benzothiophen-2-ylcarbonylamino)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-ylcarbonylamino)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid Openeye Name: 2-(benzothiophene-2-carbonylamino)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid CAS Name: 2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-4-[4-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid IUPAC Name: 2-(1-benzothiophene-2-carbonylamino)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid Traditional Name: 2-(benzothiophene-2-carbonylamino)-4-[4-(trifluoromethyl)phenyl]-3-thenoic acid Formula: C21H12F3NO3S2 MolecularWeight: 447.45009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H12F3NO3S2/c22-21(23,24)13-7-5-11(6-8-13)14-10-29-19(17(14)20(27)28)25-18(26)16-9-12-3-1-2-4-15(12)30-16/h1-10H,(H,25,26)(H,27,28)