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

Systemtic Name: ethyl (2R)-2-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-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)N1C=C(C(=N1)C)Br

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C(C)N1C=C(C(=N1)C)Br

InChI

InChI=1S/C12H18BrN3O3S/c1-4-19-12(18)10(6-20)14-11(17)8(3)16-5-9(13)7(2)15-16/h5,8,10,20H,4,6H2,1-3H3,(H,14,17)/t8?,10-/m0/s1