3-(2-acetamidoethylsulfanyl)-2-oxidanylidene-pentanedioate

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-2-oxidanylidene-pentanedioate Openeye Name: 3-(2-acetamidoethylsulfanyl)-2-oxo-pentanedioate CAS Name: 3-(2-acetamidoethylthio)-2-oxopentanedioate IUPAC Name: 3-(2-acetamidoethylsulfanyl)-2-oxopentanedioate Traditional Name: 3-(2-acetamidoethylthio)-2-keto-glutarate Formula: C9H11NO6S-2 MolecularWeight: 261.25174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(CC(=O)[O-])C(=O)C(=O)[O-]

Isomeric SMILES

CC(=O)NCCSC(CC(=O)[O-])C(=O)C(=O)[O-]

InChI

InChI=1S/C9H13NO6S/c1-5(11)10-2-3-17-6(4-7(12)13)8(14)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,12,13)(H,15,16)/p-2