ethyl (2R)-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-methyl-3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]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)C(C)CN1C=C(C=N1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O5S/c1-3-21-12(18)10(7-22)14-11(17)8(2)5-15-6-9(4-13-15)16(19)20/h4,6,8,10,22H,3,5,7H2,1-2H3,(H,14,17)/t8?,10-/m0/s1