5-acetamido-2-(4-acetamido-2-carboxy-phenyl)sulfanyl-benzoic acid

Systemtic Name: 5-acetamido-2-(4-acetamido-2-carboxy-phenyl)sulfanyl-benzoic acid Openeye Name: 5-acetamido-2-(4-acetamido-2-carboxy-phenyl)sulfanyl-benzoic acid CAS Name: 5-acetamido-2-[(4-acetamido-2-carboxyphenyl)thio]benzoic acid IUPAC Name: 5-acetamido-2-(4-acetamido-2-carboxyphenyl)sulfanylbenzoic acid Traditional Name: 5-acetamido-2-[(4-acetamido-2-carboxy-phenyl)thio]benzoic acid Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)SC2=C(C=C(C=C2)NC(=O)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)SC2=C(C=C(C=C2)NC(=O)C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O6S/c1-9(21)19-11-3-5-15(13(7-11)17(23)24)27-16-6-4-12(20-10(2)22)8-14(16)18(25)26/h3-8H,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)