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

Systemtic Name: 2-[[1-cyano-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-cyano-4-hydroxy-6-[(2-morpholino-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-cyano-4-hydroxy-6-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]oxy]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-cyano-4-hydroxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-cyano-4-hydroxy-6-[(2-morpholino-1,3-benzothiazol-6-yl)oxy]isoquinoline-3-carbonyl]amino]acetic acid Formula: C24H19N5O6S MolecularWeight: 505.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC4=CC5=C(C(=NC(=C5C=C4)C#N)C(=O)NCC(=O)O)O

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC4=CC5=C(C(=NC(=C5C=C4)C#N)C(=O)NCC(=O)O)O

InChI

InChI=1S/C24H19N5O6S/c25-11-18-15-3-1-13(9-16(15)22(32)21(27-18)23(33)26-12-20(30)31)35-14-2-4-17-19(10-14)36-24(28-17)29-5-7-34-8-6-29/h1-4,9-10,32H,5-8,12H2,(H,26,33)(H,30,31)