ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(4-nitrophenyl)methylsulfanyl]propanoate

Systemtic Name: ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(4-nitrophenyl)methylsulfanyl]propanoate Openeye Name: ethyl (2R)-2-(tert-butoxycarbonylamino)-3-[(4-nitrophenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(4-nitrophenyl)methylthio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(4-nitrophenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[(4-nitrobenzyl)thio]propionic acid ethyl ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CSCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H24N2O6S/c1-5-24-15(20)14(18-16(21)25-17(2,3)4)11-26-10-12-6-8-13(9-7-12)19(22)23/h6-9,14H,5,10-11H2,1-4H3,(H,18,21)/t14-/m0/s1