tert-butyl 3-[[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-2-methyl-propanoate

Systemtic Name: tert-butyl 3-[[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-2-methyl-propanoate Openeye Name: tert-butyl 3-[[5-(3-fluoro-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]-2-methyl-propanoate CAS Name: 3-[[[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]amino]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-2-methylpropanoate Traditional Name: 3-[[5-(3-fluoro-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]-2-methyl-propionic acid tert-butyl ester Formula: C20H26FN3O5S2 MolecularWeight: 471.565943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NCC(C)C(=O)OC(C)(C)C)C2=CC(=C(C=C2)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NCC(C)C(=O)OC(C)(C)C)C2=CC(=C(C=C2)S(=O)(=O)C)F

InChI

InChI=1S/C20H26FN3O5S2/c1-11(17(25)29-20(3,4)5)10-22-18(26)24-19-23-12(2)16(30-19)13-7-8-15(14(21)9-13)31(6,27)28/h7-9,11H,10H2,1-6H3,(H2,22,23,24,26)