ethyl (2R)-2-[(4-nitro-1H-pyrazol-5-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(4-nitro-1H-pyrazol-5-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[(4-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]propionic acid ethyl ester Formula: C9H12N4O5S MolecularWeight: 288.28038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=C(C=NN1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=C(C=NN1)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O5S/c1-2-18-9(15)5(4-19)11-8(14)7-6(13(16)17)3-10-12-7/h3,5,19H,2,4H2,1H3,(H,10,12)(H,11,14)/t5-/m0/s1