methyl 3-(4-bromanyl-2-nitro-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-(4-bromanyl-2-nitro-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-(4-bromo-2-nitro-phenyl)sulfanyl-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[(4-bromo-2-nitrophenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromo-2-nitrophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[(4-bromo-2-nitro-phenyl)thio]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C15H19BrN2O6S MolecularWeight: 435.29016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)Br)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)Br)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H19BrN2O6S/c1-15(2,3)24-14(20)17-10(13(19)23-4)8-25-12-6-5-9(16)7-11(12)18(21)22/h5-7,10H,8H2,1-4H3,(H,17,20)