ethyl (2R)-2-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C13H16BrN5O3S MolecularWeight: 402.26684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)CN2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1)CN2C=C(C=N2)Br

InChI

InChI=1S/C13H16BrN5O3S/c1-2-22-13(21)11(7-23)16-12(20)10-3-4-18(17-10)8-19-6-9(14)5-15-19/h3-6,11,23H,2,7-8H2,1H3,(H,16,20)/t11-/m0/s1