ethyl (2R)-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]propionic acid ethyl ester Formula: C13H20N4O5S MolecularWeight: 344.3867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O5S/c1-4-22-13(19)10(7-23)14-12(18)8(2)6-16-9(3)5-11(15-16)17(20)21/h5,8,10,23H,4,6-7H2,1-3H3,(H,14,18)/t8?,10-/m0/s1