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

Systemtic Name: 2-[[1-cyano-6-[(2-methyl-1,3-benzothiazol-6-yl)oxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-cyano-4-hydroxy-6-[(2-methyl-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-cyano-4-hydroxy-6-[(2-methyl-1,3-benzothiazol-6-yl)oxy]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-cyano-4-hydroxy-6-[(2-methyl-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-cyano-4-hydroxy-6-[(2-methyl-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)OC3=CC4=C(C(=NC(=C4C=C3)C#N)C(=O)NCC(=O)O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)OC3=CC4=C(C(=NC(=C4C=C3)C#N)C(=O)NCC(=O)O)O

InChI

InChI=1S/C21H14N4O5S/c1-10-24-15-5-3-12(7-17(15)31-10)30-11-2-4-13-14(6-11)20(28)19(25-16(13)8-22)21(29)23-9-18(26)27/h2-7,28H,9H2,1H3,(H,23,29)(H,26,27)