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

Systemtic Name: tert-butyl 2-[[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]ethanoate Openeye Name: tert-butyl 2-[[5-(3-fluoro-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]acetate CAS Name: 2-[[[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]acetate Traditional Name: 2-[[5-(3-fluoro-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]acetic acid tert-butyl ester Formula: C18H22FN3O5S2 MolecularWeight: 443.512783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O5S2/c1-10-15(11-6-7-13(12(19)8-11)29(5,25)26)28-17(21-10)22-16(24)20-9-14(23)27-18(2,3)4/h6-8H,9H2,1-5H3,(H2,20,21,22,24)