ethyl 2-[2-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C14H17BrN4O3S MolecularWeight: 401.27878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)N2C=C(C(=N2)C)Br

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)N2C=C(C(=N2)C)Br

InChI

InChI=1S/C14H17BrN4O3S/c1-4-22-12(20)5-10-7-23-14(16-10)17-13(21)9(3)19-6-11(15)8(2)18-19/h6-7,9H,4-5H2,1-3H3,(H,16,17,21)