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

Systemtic Name: ethyl (2R)-2-[2-(4-nitropyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(4-nitropyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-(4-nitropyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[2-(4-nitropyrazol-1-yl)propanoylamino]propionic acid ethyl ester Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C(C)N1C=C(C=N1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C(C)N1C=C(C=N1)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O5S/c1-3-20-11(17)9(6-21)13-10(16)7(2)14-5-8(4-12-14)15(18)19/h4-5,7,9,21H,3,6H2,1-2H3,(H,13,16)/t7?,9-/m0/s1