ethyl (2R)-2-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C10H14BrN3O3S MolecularWeight: 336.20546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CN1C=C(C=N1)Br

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CN1C=C(C=N1)Br

InChI

InChI=1S/C10H14BrN3O3S/c1-2-17-10(16)8(6-18)13-9(15)5-14-4-7(11)3-12-14/h3-4,8,18H,2,5-6H2,1H3,(H,13,15)/t8-/m0/s1