methyl (2S)-2-[2-(4-nitrophenyl)sulfanylethoxycarbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(4-nitrophenyl)sulfanylethoxycarbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[2-(4-nitrophenyl)sulfanylethoxycarbonylamino]propanoate CAS Name: (2S)-3-hydroxy-2-[[2-[(4-nitrophenyl)thio]ethoxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[2-(4-nitrophenyl)sulfanylethoxycarbonylamino]propanoate Traditional Name: (2S)-3-hydroxy-2-[2-[(4-nitrophenyl)thio]ethoxycarbonylamino]propionic acid methyl ester Formula: C13H16N2O7S MolecularWeight: 344.34034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)OCCSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)OCCSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7S/c1-21-12(17)11(8-16)14-13(18)22-6-7-23-10-4-2-9(3-5-10)15(19)20/h2-5,11,16H,6-8H2,1H3,(H,14,18)/t11-/m0/s1