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

Systemtic Name: ethyl (2R)-2-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[3-(5-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]propionic acid ethyl ester Formula: C12H18N4O5S MolecularWeight: 330.36012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CCN1C(=C(C=N1)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CCN1C(=C(C=N1)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N4O5S/c1-3-21-12(18)9(7-22)14-11(17)4-5-15-8(2)10(6-13-15)16(19)20/h6,9,22H,3-5,7H2,1-2H3,(H,14,17)/t9-/m0/s1