ethyl (2R)-2-[3-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[3-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[3-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[3-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[3-(4-bromo-5-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)CCN1C(=C(C=N1)Br)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CCN1C(=C(C=N1)Br)C

InChI

InChI=1S/C12H18BrN3O3S/c1-3-19-12(18)10(7-20)15-11(17)4-5-16-8(2)9(13)6-14-16/h6,10,20H,3-5,7H2,1-2H3,(H,15,17)/t10-/m0/s1