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

Systemtic Name: 2-[[4-cyano-7-oxidanyl-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-6-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-cyano-7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid CAS Name: 2-[[[4-cyano-7-hydroxy-2-[3-(trifluoromethyl)phenyl]-6-thieno[3,2-c]pyridinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-cyano-7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid Traditional Name: 2-[[4-cyano-7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid Formula: C18H10F3N3O4S MolecularWeight: 421.34991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC3=C(N=C(C(=C3S2)O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC3=C(N=C(C(=C3S2)O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C18H10F3N3O4S/c19-18(20,21)9-3-1-2-8(4-9)12-5-10-11(6-22)24-14(15(27)16(10)29-12)17(28)23-7-13(25)26/h1-5,27H,7H2,(H,23,28)(H,25,26)