4-(2-ethanoylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4-(2-ethanoylsulfanylethanoylamino)benzoic acid Openeye Name: 4-[(2-acetylsulfanylacetyl)amino]benzoic acid CAS Name: 4-[[2-(acetylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[(2-acetylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-[[2-(acetylthio)acetyl]amino]benzoic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S/c1-7(13)17-6-10(14)12-9-4-2-8(3-5-9)11(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16)