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

Systemtic Name: tert-butyl 2-[[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]-4-sulfanyl-butanoate Openeye Name: tert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-sulfanyl-butanoate CAS Name: 2-[[5-[[(8-hydroxy-7-quinolinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]amino]-4-mercaptobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylbutanoate Traditional Name: 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-mercapto-butyric acid tert-butyl ester Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4S2/c1-20(2,3)29-17(28)13(8-10-30)22-18-24-25-19(31-18)23-16(27)12-7-6-11-5-4-9-21-14(11)15(12)26/h4-7,9,13,26,30H,8,10H2,1-3H3,(H,22,24)(H,23,25,27)