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

Systemtic Name: ethyl (2R)-2-[2-(4-bromanylpyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(4-bromopyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-(4-bromopyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-(4-bromopyrazol-1-yl)propanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C11H16BrN3O3S MolecularWeight: 350.23204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C(C)N1C=C(C=N1)Br

Isomeric SMILES

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

InChI

InChI=1S/C11H16BrN3O3S/c1-3-18-11(17)9(6-19)14-10(16)7(2)15-5-8(12)4-13-15/h4-5,7,9,19H,3,6H2,1-2H3,(H,14,16)/t7?,9-/m0/s1