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

Systemtic Name: ethyl (2R)-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C14H22N4O5S MolecularWeight: 358.41328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O5S/c1-5-23-14(20)11(7-24)15-13(19)8(2)6-17-10(4)12(18(21)22)9(3)16-17/h8,11,24H,5-7H2,1-4H3,(H,15,19)/t8?,11-/m0/s1