tert-butyl 1-[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-methyl-5-[2-(2-pyridylamino)thiazol-5-yl]sulfanyl-benzoyl]pyrrolidine-2-carboxylate CAS Name: 1-[[2-methyl-5-[[2-(2-pyridinylamino)-5-thiazolyl]thio]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-methyl-5-[[2-(2-pyridylamino)thiazol-5-yl]thio]benzoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)N4CCCC4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)N4CCCC4C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N4O3S2/c1-16-10-11-17(33-21-15-27-24(34-21)28-20-9-5-6-12-26-20)14-18(16)22(30)29-13-7-8-19(29)23(31)32-25(2,3)4/h5-6,9-12,14-15,19H,7-8,13H2,1-4H3,(H,26,27,28)