2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]terephthalic acid Formula: C17H9ClFNO5S MolecularWeight: 393.773463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C17H9ClFNO5S/c18-13-10-4-2-8(19)6-12(10)26-14(13)15(21)20-11-5-7(16(22)23)1-3-9(11)17(24)25/h1-6H,(H,20,21)(H,22,23)(H,24,25)