2-[[2-(3-azanyl-3-oxidanylidene-2-sulfanyl-propyl)phenyl]-(2-hydroxyethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-(3-azanyl-3-oxidanylidene-2-sulfanyl-propyl)phenyl]-(2-hydroxyethyl)amino]ethanoic acid Openeye Name: 2-[2-(3-amino-3-oxo-2-sulfanyl-propyl)-N-(2-hydroxyethyl)anilino]acetic acid CAS Name: 2-[2-(3-amino-2-mercapto-3-oxopropyl)-N-(2-hydroxyethyl)anilino]acetic acid IUPAC Name: 2-[2-(3-amino-3-oxo-2-sulfanylpropyl)-N-(2-hydroxyethyl)anilino]acetic acid Traditional Name: 2-[2-(3-amino-3-keto-2-mercapto-propyl)-N-(2-hydroxyethyl)anilino]acetic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C(=O)N)S)N(CCO)CC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC(C(=O)N)S)N(CCO)CC(=O)O

InChI

InChI=1S/C13H18N2O4S/c14-13(19)11(20)7-9-3-1-2-4-10(9)15(5-6-16)8-12(17)18/h1-4,11,16,20H,5-8H2,(H2,14,19)(H,17,18)