2-[[4-bromanyl-7-oxidanyl-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-6-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-bromanyl-7-oxidanyl-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-6-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-bromo-7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid CAS Name: 2-[[[4-bromo-7-hydroxy-2-[3-(trifluoromethyl)phenyl]-6-thieno[3,2-c]pyridinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-bromo-7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid Traditional Name: 2-[[4-bromo-7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid Formula: C17H10BrF3N2O4S MolecularWeight: 475.23651

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC3=C(S2)C(=C(N=C3Br)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC3=C(S2)C(=C(N=C3Br)C(=O)NCC(=O)O)O

InChI

InChI=1S/C17H10BrF3N2O4S/c18-15-9-5-10(7-2-1-3-8(4-7)17(19,20)21)28-14(9)13(26)12(23-15)16(27)22-6-11(24)25/h1-5,26H,6H2,(H,22,27)(H,24,25)