2-(2-sulfanylpropanoylamino)ethanoic acid; thiobenzate

Systemtic Name: 2-(2-sulfanylpropanoylamino)ethanoic acid; thiobenzate Openeye Name: 2-(2-sulfanylpropanoylamino)acetic acid; thiobenzate CAS Name: 2-[(2-mercapto-1-oxopropyl)amino]acetic acid; thiobenzate IUPAC Name: 2-(2-sulfanylpropanoylamino)acetic acid; thiobenzate Traditional Name: 2-(2-mercaptopropanoylamino)acetic acid; thiobenzate Formula: C12H14NO4S2- MolecularWeight: 300.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)O)S.C1=CC=C(C=C1)C(=S)[O-]

Isomeric SMILES

CC(C(=O)NCC(=O)O)S.C1=CC=C(C=C1)C(=S)[O-]

InChI

InChI=1S/C7H6OS.C5H9NO3S/c8-7(9)6-4-2-1-3-5-6;1-3(10)5(9)6-2-4(7)8/h1-5H,(H,8,9);3,10H,2H2,1H3,(H,6,9)(H,7,8)/p-1