3,4-bis(2-ethanoylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3,4-bis(2-ethanoylsulfanylethanoylamino)benzoic acid Openeye Name: 3,4-bis[(2-acetylsulfanylacetyl)amino]benzoic acid CAS Name: 3,4-bis[[2-(acetylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,4-bis[(2-acetylsulfanylacetyl)amino]benzoic acid Traditional Name: 3,4-bis[[2-(acetylthio)acetyl]amino]benzoic acid Formula: C15H16N2O6S2 MolecularWeight: 384.42734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O6S2/c1-8(18)24-6-13(20)16-11-4-3-10(15(22)23)5-12(11)17-14(21)7-25-9(2)19/h3-5H,6-7H2,1-2H3,(H,16,20)(H,17,21)(H,22,23)