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

Systemtic Name: ethyl (2R)-2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C11H15BrN4O5S MolecularWeight: 395.2296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrN4O5S/c1-3-21-11(18)7(5-22)13-8(17)4-15-6(2)9(12)10(14-15)16(19)20/h7,22H,3-5H2,1-2H3,(H,13,17)/t7-/m0/s1