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

Systemtic Name: 2-[[1-(2-methoxyphenyl)sulfanyl-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-1-(2-methoxyphenyl)sulfanyl-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-1-[(2-methoxyphenyl)thio]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-1-(2-methoxyphenyl)sulfanylisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-1-[(2-methoxyphenyl)thio]isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1SC2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

InChI

InChI=1S/C19H16N2O5S/c1-26-13-8-4-5-9-14(13)27-19-12-7-3-2-6-11(12)17(24)16(21-19)18(25)20-10-15(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)