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

Systemtic Name: ethyl (2R)-2-[2-(3-nitropyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propionic acid ethyl ester Formula: C10H14N4O5S MolecularWeight: 302.30696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CN1C=CC(=N1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CN1C=CC(=N1)[N+](=O)[O-]

InChI

InChI=1S/C10H14N4O5S/c1-2-19-10(16)7(6-20)11-9(15)5-13-4-3-8(12-13)14(17)18/h3-4,7,20H,2,5-6H2,1H3,(H,11,15)/t7-/m0/s1