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

Systemtic Name: ethyl (2R)-2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-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)CCN1C=C(C(=N1)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrN4O5S/c1-2-21-11(18)8(6-22)13-9(17)3-4-15-5-7(12)10(14-15)16(19)20/h5,8,22H,2-4,6H2,1H3,(H,13,17)/t8-/m0/s1