2-[[1-(4-methylphenyl)sulfanyl-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfanyl-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-1-(p-tolylsulfanyl)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-1-[(4-methylphenyl)thio]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-1-(4-methylphenyl)sulfanylisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-1-(p-tolylthio)isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

InChI

InChI=1S/C19H16N2O4S/c1-11-6-8-12(9-7-11)26-19-14-5-3-2-4-13(14)17(24)16(21-19)18(25)20-10-15(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)