ditert-butyl 2-[[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]butanedioate

Systemtic Name: ditert-butyl 2-[[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]butanedioate Openeye Name: ditert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]butanedioate CAS Name: 2-[[5-[[(8-hydroxy-7-quinolinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]amino]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]butanedioate Traditional Name: 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]succinic acid ditert-butyl ester Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)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)(C)OC(=O)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/C24H29N5O6S/c1-23(2,3)34-16(30)12-15(20(33)35-24(4,5)6)26-21-28-29-22(36-21)27-19(32)14-10-9-13-8-7-11-25-17(13)18(14)31/h7-11,15,31H,12H2,1-6H3,(H,26,28)(H,27,29,32)