3-methyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-8(2)12(13(17)18)14-11(16)7-21-10-5-3-9(4-6-10)15(19)20/h3-6,8,12H,7H2,1-2H3,(H,14,16)(H,17,18)