ethyl (2R)-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]propionic acid ethyl ester Formula: C11H15N5O7S MolecularWeight: 361.3311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O7S/c1-3-23-11(18)7(5-24)12-8(17)4-14-6(2)9(15(19)20)10(13-14)16(21)22/h7,24H,3-5H2,1-2H3,(H,12,17)/t7-/m0/s1