ethyl (2R)-2-[(4-bromanyl-2-ethyl-pyrazol-3-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(4-bromanyl-2-ethyl-pyrazol-3-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(4-bromo-2-ethyl-pyrazole-3-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-bromo-2-ethylpyrazole-3-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(4-bromo-2-ethyl-pyrazole-3-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C11H16BrN3O3S MolecularWeight: 350.23204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)C(=O)NC(CS)C(=O)OCC

Isomeric SMILES

CCN1C(=C(C=N1)Br)C(=O)N[C@@H](CS)C(=O)OCC

InChI

InChI=1S/C11H16BrN3O3S/c1-3-15-9(7(12)5-13-15)10(16)14-8(6-19)11(17)18-4-2/h5,8,19H,3-4,6H2,1-2H3,(H,14,16)/t8-/m0/s1