ethyl 2-[2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(4-bromopyrazol-1-yl)propanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(4-bromopyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-(4-bromopyrazol-1-yl)propanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C13H15BrN4O3S MolecularWeight: 387.2522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)CCN2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CCN2C=C(C=N2)Br

InChI

InChI=1S/C13H15BrN4O3S/c1-2-21-12(20)5-10-8-22-13(16-10)17-11(19)3-4-18-7-9(14)6-15-18/h6-8H,2-5H2,1H3,(H,16,17,19)