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

Systemtic Name: methyl 2-[2-(4-nitrophenyl)sulfanylethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoate CAS Name: 3-hydroxy-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]propionic acid methyl ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CO)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-20-12(17)10(6-15)13-11(16)7-21-9-4-2-8(3-5-9)14(18)19/h2-5,10,15H,6-7H2,1H3,(H,13,16)