4-methylsulfanyl-2-[2-(4-nitropyrazol-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(4-nitropyrazol-1-yl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butyric acid Formula: C10H14N4O5S MolecularWeight: 302.30696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O5S/c1-20-3-2-8(10(16)17)12-9(15)6-13-5-7(4-11-13)14(18)19/h4-5,8H,2-3,6H2,1H3,(H,12,15)(H,16,17)