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

Systemtic Name: methyl 2-methyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]propanoate Openeye Name: methyl 2-methyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoate CAS Name: 2-methyl-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoate Traditional Name: 2-methyl-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]propionic acid methyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-13(2,12(17)20-3)14-11(16)8-21-10-6-4-9(5-7-10)15(18)19/h4-7H,8H2,1-3H3,(H,14,16)