2-[(4-oxidanyl-1-pyridin-2-ylsulfanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(4-oxidanyl-1-pyridin-2-ylsulfanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-1-(2-pyridylsulfanyl)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-1-(2-pyridinylthio)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-1-pyridin-2-ylsulfanylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[[4-hydroxy-1-(2-pyridylthio)isoquinoline-3-carbonyl]amino]acetic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N=C2SC3=CC=CC=N3)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N=C2SC3=CC=CC=N3)C(=O)NCC(=O)O)O

InChI

InChI=1S/C17H13N3O4S/c21-13(22)9-19-16(24)14-15(23)10-5-1-2-6-11(10)17(20-14)25-12-7-3-4-8-18-12/h1-8,23H,9H2,(H,19,24)(H,21,22)