tert-butyl 1-[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylate CAS Name: 1-[5-[[(8-hydroxy-7-quinolinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylate Traditional Name: 1-[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C2=NN=C(S2)NC(=O)C3=C(C4=C(C=CC=N4)C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C2=NN=C(S2)NC(=O)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C21H23N5O4S/c1-21(2,3)30-18(29)14-7-5-11-26(14)20-25-24-19(31-20)23-17(28)13-9-8-12-6-4-10-22-15(12)16(13)27/h4,6,8-10,14,27H,5,7,11H2,1-3H3,(H,23,24,28)