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

Systemtic Name: ethyl (2R)-2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C12H18BrN3O3S MolecularWeight: 364.25862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrN3O3S/c1-3-19-12(18)10(7-20)15-11(17)8(2)5-16-6-9(13)4-14-16/h4,6,8,10,20H,3,5,7H2,1-2H3,(H,15,17)/t8?,10-/m0/s1