4-[(2-methyl-2-nitrososulfanyl-propyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methyl-2-nitrososulfanyl-propyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-methyl-2-nitrososulfanyl-propyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2-methyl-2-(nitrosothio)propyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-methyl-2-nitrososulfanylpropyl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[2-methyl-2-(nitrosothio)propyl]amino]butyric acid Formula: C8H14N2O4S MolecularWeight: 234.27276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CCC(=O)O)SN=O

Isomeric SMILES

CC(C)(CNC(=O)CCC(=O)O)SN=O

InChI

InChI=1S/C8H14N2O4S/c1-8(2,15-10-14)5-9-6(11)3-4-7(12)13/h3-5H2,1-2H3,(H,9,11)(H,12,13)