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

Systemtic Name: 2-acetamido-3-[1-(4-chlorophenyl)-2-nitro-ethyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(4-chlorophenyl)-2-nitro-ethyl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(4-chlorophenyl)-2-nitroethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(4-chlorophenyl)-2-nitroethyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[1-(4-chlorophenyl)-2-nitro-ethyl]thio]propionic acid Formula: C13H15ClN2O5S MolecularWeight: 346.7866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5S/c1-8(17)15-11(13(18)19)7-22-12(6-16(20)21)9-2-4-10(14)5-3-9/h2-5,11-12H,6-7H2,1H3,(H,15,17)(H,18,19)