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

Systemtic Name: 2-[(1-naphthalen-2-ylsulfanyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-1-(2-naphthylsulfanyl)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-1-(2-naphthalenylthio)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-1-naphthalen-2-ylsulfanylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[[4-hydroxy-1-(2-naphthylthio)isoquinoline-3-carbonyl]amino]acetic acid Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SC3=NC(=C(C4=CC=CC=C43)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SC3=NC(=C(C4=CC=CC=C43)O)C(=O)NCC(=O)O

InChI

InChI=1S/C22H16N2O4S/c25-18(26)12-23-21(28)19-20(27)16-7-3-4-8-17(16)22(24-19)29-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,27H,12H2,(H,23,28)(H,25,26)