2-[[2-(3-azanyl-1-oxidanyl-3-oxidanylidene-2-sulfanyl-propyl)phenyl]-(2-hydroxyethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-(3-azanyl-1-oxidanyl-3-oxidanylidene-2-sulfanyl-propyl)phenyl]-(2-hydroxyethyl)amino]ethanoic acid Openeye Name: 2-[2-(3-amino-1-hydroxy-3-oxo-2-sulfanyl-propyl)-N-(2-hydroxyethyl)anilino]acetic acid CAS Name: 2-[2-(3-amino-1-hydroxy-2-mercapto-3-oxopropyl)-N-(2-hydroxyethyl)anilino]acetic acid IUPAC Name: 2-[2-(3-amino-1-hydroxy-3-oxo-2-sulfanylpropyl)-N-(2-hydroxyethyl)anilino]acetic acid Traditional Name: 2-[2-(3-amino-1-hydroxy-3-keto-2-mercapto-propyl)-N-(2-hydroxyethyl)anilino]acetic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c14-13(20)12(21)11(19)8-3-1-2-4-9(8)15(5-6-16)7-10(17)18/h1-4,11-12,16,19,21H,5-7H2,(H2,14,20)(H,17,18)