ethyl (2R)-2-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(CS)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N[C@@H](CS)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O5S/c1-3-14-5-8(15(18)19)9(13-14)10(16)12-7(6-21)11(17)20-4-2/h5,7,21H,3-4,6H2,1-2H3,(H,12,16)/t7-/m0/s1