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

Systemtic Name: ethyl (2R)-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-mercapto-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)N1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C(C)N1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N4O5S/c1-5-22-13(19)10(6-23)14-12(18)9(4)16-8(3)11(17(20)21)7(2)15-16/h9-10,23H,5-6H2,1-4H3,(H,14,18)/t9?,10-/m0/s1