2-acetamido-3-methyl-3-(2-nitrophenyl)sulfanyl-butanoic acid

Systemtic Name: 2-acetamido-3-methyl-3-(2-nitrophenyl)sulfanyl-butanoic acid Openeye Name: 2-acetamido-3-methyl-3-(2-nitrophenyl)sulfanyl-butanoic acid CAS Name: 2-acetamido-3-methyl-3-[(2-nitrophenyl)thio]butanoic acid IUPAC Name: 2-acetamido-3-methyl-3-(2-nitrophenyl)sulfanylbutanoic acid Traditional Name: 2-acetamido-3-methyl-3-[(2-nitrophenyl)thio]butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)O)C(C)(C)SC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(C(=O)O)C(C)(C)SC1=CC=CC=C1[N+](=O)[O-]

InChI

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