ethyl (2R)-2-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]propionic acid ethyl ester Formula: C11H16N4O6S MolecularWeight: 332.33294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O6S/c1-3-21-11(17)7(6-22)12-9(16)5-14-4-8(15(18)19)10(13-14)20-2/h4,7,22H,3,5-6H2,1-2H3,(H,12,16)/t7-/m0/s1