2-[(7-phenoxy-4-sulfanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(7-phenoxy-4-sulfanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-phenoxy-4-sulfanyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(4-mercapto-7-phenoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-phenoxy-4-sulfanylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(4-mercapto-7-phenoxy-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)OC2=CC3=CN=C(C(=C3C=C2)S)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=CN=C(C(=C3C=C2)S)C(=O)NCC(=O)O

InChI

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