2-[(5-isoquinolin-5-ylthiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(5-isoquinolin-5-ylthiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[[5-(5-isoquinolyl)thiophene-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[5-(5-isoquinolinyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(5-isoquinolin-5-ylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 2-[[5-(5-isoquinolyl)thiophene-2-carbonyl]amino]benzoic acid Formula: C21H14N2O3S MolecularWeight: 374.41246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(S2)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(S2)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H14N2O3S/c24-20(23-17-7-2-1-5-16(17)21(25)26)19-9-8-18(27-19)15-6-3-4-13-12-22-11-10-14(13)15/h1-12H,(H,23,24)(H,25,26)