2-[(4-oxidanyl-6-pyridin-4-ylsulfanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(4-oxidanyl-6-pyridin-4-ylsulfanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-6-(4-pyridylsulfanyl)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-6-(pyridin-4-ylthio)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-6-pyridin-4-ylsulfanylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[[4-hydroxy-6-(4-pyridylthio)isoquinoline-3-carbonyl]amino]acetic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN=C(C(=C2C=C1SC3=CC=NC=C3)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC2=CN=C(C(=C2C=C1SC3=CC=NC=C3)O)C(=O)NCC(=O)O

InChI

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