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

Systemtic Name: tert-butyl 1-[5-[(8-oxidanyl-4-oxidanylidene-1H-quinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[5-[(8-hydroxy-4-oxo-1H-quinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylate CAS Name: 1-[5-[[(8-hydroxy-4-oxo-1H-quinolin-7-yl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[5-[(8-hydroxy-4-oxo-1H-quinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylate Traditional Name: 1-[5-[(8-hydroxy-4-keto-1H-quinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H23N5O5S MolecularWeight: 457.50282

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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=C3)C(=O)C=CN4)O

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C2=NN=C(S2)NC(=O)C3=C(C4=C(C=C3)C(=O)C=CN4)O

InChI

InChI=1S/C21H23N5O5S/c1-21(2,3)31-18(30)13-5-4-10-26(13)20-25-24-19(32-20)23-17(29)12-7-6-11-14(27)8-9-22-15(11)16(12)28/h6-9,13,28H,4-5,10H2,1-3H3,(H,22,27)(H,23,24,29)