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

Systemtic Name: ethyl (2R)-2-[(1,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(1,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(1,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(1,5-dimethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O5S/c1-4-20-11(17)7(5-21)12-10(16)8-9(15(18)19)6(2)14(3)13-8/h7,21H,4-5H2,1-3H3,(H,12,16)/t7-/m0/s1