2-[3,6-bis(oxidanylidene)-5-(sulfanylmethyl)piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[3,6-bis(oxidanylidene)-5-(sulfanylmethyl)piperazin-2-yl]ethanoic acid Openeye Name: 2-[3,6-dioxo-5-(sulfanylmethyl)piperazin-2-yl]acetic acid CAS Name: 2-[5-(mercaptomethyl)-3,6-dioxo-2-piperazinyl]acetic acid IUPAC Name: 2-[3,6-dioxo-5-(sulfanylmethyl)piperazin-2-yl]acetic acid Traditional Name: 2-[3,6-diketo-5-(mercaptomethyl)piperazin-2-yl]acetic acid Formula: C7H10N2O4S MolecularWeight: 218.2303

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(=O)NC(C(=O)N1)CS)C(=O)O

Isomeric SMILES

C(C1C(=O)NC(C(=O)N1)CS)C(=O)O

InChI

InChI=1S/C7H10N2O4S/c10-5(11)1-3-6(12)9-4(2-14)7(13)8-3/h3-4,14H,1-2H2,(H,8,13)(H,9,12)(H,10,11)