4-[4-(2-ethanoylsulfanylethanoylamino)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2-ethanoylsulfanylethanoylamino)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(2-acetylsulfanylacetyl)amino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(acetylthio)-1-oxoethyl]amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(2-acetylsulfanylacetyl)amino]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(acetylthio)acetyl]amino]phenyl]-4-keto-butyric acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)CCC(=O)O

Isomeric SMILES

CC(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

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