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

Systemtic Name: ethyl (2R)-2-[(3-methoxy-4-nitro-1H-pyrazol-5-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[(3-methoxy-4-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]propionic acid ethyl ester Formula: C10H14N4O6S MolecularWeight: 318.30636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O6S/c1-3-20-10(16)5(4-21)11-8(15)6-7(14(17)18)9(19-2)13-12-6/h5,21H,3-4H2,1-2H3,(H,11,15)(H,12,13)/t5-/m0/s1