2-azanyl-2-ethanoyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid

Systemtic Name: 2-azanyl-2-ethanoyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid Openeye Name: 2-acetyl-2-amino-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid CAS Name: 2-acetyl-2-amino-5-[(5-methyl-2-nitrophenyl)thio]oxypentanoic acid IUPAC Name: 2-acetyl-2-amino-5-(5-methyl-2-nitrophenyl)sulfanyloxypentanoic acid Traditional Name: 2-acetyl-2-amino-5-[(5-methyl-2-nitro-phenyl)thio]oxy-valeric acid Formula: C14H18N2O6S MolecularWeight: 342.36752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C)(C(=O)O)N

InChI

InChI=1S/C14H18N2O6S/c1-9-4-5-11(16(20)21)12(8-9)23-22-7-3-6-14(15,10(2)17)13(18)19/h4-5,8H,3,6-7,15H2,1-2H3,(H,18,19)