5-[2-(1H-indazol-3-yl)-5-methyl-1,3-thiazol-4-yl]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[2-(1H-indazol-3-yl)-5-methyl-1,3-thiazol-4-yl]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[2-(1H-indazol-3-yl)-5-methyl-thiazol-4-yl]-2-morpholino-benzoic acid CAS Name: 5-[2-(1H-indazol-3-yl)-5-methyl-4-thiazolyl]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[2-(1H-indazol-3-yl)-5-methyl-1,3-thiazol-4-yl]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[2-(1H-indazol-3-yl)-5-methyl-thiazol-4-yl]-2-morpholino-benzoic acid Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=NNC3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)C(=O)O

Isomeric SMILES

CC1=C(N=C(S1)C2=NNC3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)C(=O)O

InChI

InChI=1S/C22H20N4O3S/c1-13-19(23-21(30-13)20-15-4-2-3-5-17(15)24-25-20)14-6-7-18(16(12-14)22(27)28)26-8-10-29-11-9-26/h2-7,12H,8-11H2,1H3,(H,24,25)(H,27,28)