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

Systemtic Name: ethyl (2R)-2-[2-(3-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(3-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-(3-methyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[2-(3-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]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)CN1C=C(C(=N1)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CN1C=C(C(=N1)C)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O5S/c1-3-20-11(17)8(6-21)12-10(16)5-14-4-9(15(18)19)7(2)13-14/h4,8,21H,3,5-6H2,1-2H3,(H,12,16)/t8-/m0/s1