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

Systemtic Name: ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)carbonylsulfanyl-propanoate Openeye Name: ethyl (2R)-2-(tert-butoxycarbonylamino)-3-(4-nitrobenzoyl)sulfanyl-propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(4-nitrophenyl)-oxomethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrobenzoyl)sulfanylpropanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[(4-nitrobenzoyl)thio]propionic acid ethyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7S/c1-5-25-14(20)13(18-16(22)26-17(2,3)4)10-27-15(21)11-6-8-12(9-7-11)19(23)24/h6-9,13H,5,10H2,1-4H3,(H,18,22)/t13-/m0/s1