2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]ethanoic acid

Systemtic Name: 2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]ethanoic acid Openeye Name: 2-[(2-acetylsulfanyl-4-oxo-4-phenyl-butanoyl)amino]acetic acid CAS Name: 2-[[2-(acetylthio)-1,4-dioxo-4-phenylbutyl]amino]acetic acid IUPAC Name: 2-[(2-acetylsulfanyl-4-oxo-4-phenylbutanoyl)amino]acetic acid Traditional Name: 2-[[2-(acetylthio)-4-keto-4-phenyl-butanoyl]amino]acetic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CC=CC=C1)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CC=CC=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C14H15NO5S/c1-9(16)21-12(14(20)15-8-13(18)19)7-11(17)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,15,20)(H,18,19)