ethanamine; 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: ethanamine; 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: ethanamine; 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetic acid CAS Name: ethanamine; 2-[[[3-[(2-mercapto-1-oxoethyl)amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: ethanamine; 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetic acid Traditional Name: ethylamine; 2-[[3-[(2-mercaptoacetyl)amino]benzoyl]amino]acetic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCN.C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)O

Isomeric SMILES

CCN.C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)O

InChI

InChI=1S/C11H12N2O4S.C2H7N/c14-9(6-18)13-8-3-1-2-7(4-8)11(17)12-5-10(15)16;1-2-3/h1-4,18H,5-6H2,(H,12,17)(H,13,14)(H,15,16);2-3H2,1H3