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

Systemtic Name: ethyl (2R)-2-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[(1-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[(1-methyl-4-nitro-pyrazole-3-carbonyl)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)C1=NN(C=C1[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1[N+](=O)[O-])C

InChI

InChI=1S/C10H14N4O5S/c1-3-19-10(16)6(5-20)11-9(15)8-7(14(17)18)4-13(2)12-8/h4,6,20H,3,5H2,1-2H3,(H,11,15)/t6-/m0/s1