2-acetamido-3-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(4-methoxyphenyl)-2-nitroethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[1-(4-methoxyphenyl)-2-nitro-ethyl]thio]propionic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6S/c1-9(17)15-12(14(18)19)8-23-13(7-16(20)21)10-3-5-11(22-2)6-4-10/h3-6,12-13H,7-8H2,1-2H3,(H,15,17)(H,18,19)