5-acetamido-2-(2-carboxyphenyl)sulfanyl-benzoic acid

Systemtic Name: 5-acetamido-2-(2-carboxyphenyl)sulfanyl-benzoic acid Openeye Name: 5-acetamido-2-(2-carboxyphenyl)sulfanyl-benzoic acid CAS Name: 5-acetamido-2-[(2-carboxyphenyl)thio]benzoic acid IUPAC Name: 5-acetamido-2-(2-carboxyphenyl)sulfanylbenzoic acid Traditional Name: 5-acetamido-2-[(2-carboxyphenyl)thio]benzoic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C16H13NO5S/c1-9(18)17-10-6-7-14(12(8-10)16(21)22)23-13-5-3-2-4-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)