3-(2-acetamidoethylsulfanyl)-2-oxidanylidene-pentanedioic acid

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-2-oxidanylidene-pentanedioic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-2-oxo-pentanedioic acid CAS Name: 3-(2-acetamidoethylthio)-2-oxopentanedioic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-2-oxopentanedioic acid Traditional Name: 3-(2-acetamidoethylthio)-2-keto-glutaric acid Formula: C9H13NO6S MolecularWeight: 263.26762

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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)