tert-butyl 4-methyl-2-[[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]pentanoate

Systemtic Name: tert-butyl 4-methyl-2-[[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]pentanoate Openeye Name: tert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-methyl-pentanoate CAS Name: 2-[[5-[[(8-hydroxy-7-quinolinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-methylpentanoate Traditional Name: 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC1=NN=C(S1)NC(=O)C2=C(C3=C(C=CC=N3)C=C2)O

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC1=NN=C(S1)NC(=O)C2=C(C3=C(C=CC=N3)C=C2)O

InChI

InChI=1S/C22H27N5O4S/c1-12(2)11-15(19(30)31-22(3,4)5)24-20-26-27-21(32-20)25-18(29)14-9-8-13-7-6-10-23-16(13)17(14)28/h6-10,12,15,28H,11H2,1-5H3,(H,24,26)(H,25,27,29)