sodium 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoate hydrate

Systemtic Name: sodium 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoate hydrate Openeye Name: sodium 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetate hydrate CAS Name: sodium 2-[[[3-[(2-mercapto-1-oxoethyl)amino]phenyl]-oxomethyl]amino]acetate hydrate IUPAC Name: sodium 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetate hydrate Traditional Name: sodium 2-[[3-[(2-mercaptoacetyl)amino]benzoyl]amino]acetate hydrate Formula: C11H13N2NaO5S MolecularWeight: 308.28609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)[O-].O.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)[O-].O.[Na+]

InChI

InChI=1S/C11H12N2O4S.Na.H2O/c14-9(6-18)13-8-3-1-2-7(4-8)11(17)12-5-10(15)16;;/h1-4,18H,5-6H2,(H,12,17)(H,13,14)(H,15,16);;1H2/q;+1;/p-1