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

Systemtic Name: 2-[(4-oxidanyl-6-phenylsulfanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-hydroxy-6-phenylsulfanyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[[4-hydroxy-6-(phenylthio)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-6-phenylsulfanylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[[4-hydroxy-6-(phenylthio)isoquinoline-3-carbonyl]amino]acetic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O

InChI

InChI=1S/C18H14N2O4S/c21-15(22)10-20-18(24)16-17(23)14-8-13(7-6-11(14)9-19-16)25-12-4-2-1-3-5-12/h1-9,23H,10H2,(H,20,24)(H,21,22)