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

Systemtic Name: tert-butyl 4-methylsulfanyl-2-[[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]butanoate Openeye Name: tert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[5-[[(8-hydroxy-7-quinolinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]amino]-4-(methylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-(methylthio)butyric acid tert-butyl ester Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S2/c1-21(2,3)30-18(29)14(9-11-31-4)23-19-25-26-20(32-19)24-17(28)13-8-7-12-6-5-10-22-15(12)16(13)27/h5-8,10,14,27H,9,11H2,1-4H3,(H,23,25)(H,24,26,28)