2-[[7-[(2-methyl-1,3-benzothiazol-6-yl)oxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-[(2-methyl-1,3-benzothiazol-6-yl)oxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-7-[(2-methyl-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-7-[(2-methyl-1,3-benzothiazol-6-yl)oxy]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-7-[(2-methyl-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-7-[(2-methyl-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)OC3=CC4=CN=C(C(=C4C=C3)O)C(=O)NCC(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)OC3=CC4=CN=C(C(=C4C=C3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C20H15N3O5S/c1-10-23-15-5-3-13(7-16(15)29-10)28-12-2-4-14-11(6-12)8-21-18(19(14)26)20(27)22-9-17(24)25/h2-8,26H,9H2,1H3,(H,22,27)(H,24,25)