5-acetamido-2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 5-acetamido-2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 5-acetamido-2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]benzoic acid CAS Name: 5-acetamido-2-[[[4-(carboxymethyl)phenyl]thio]methyl]benzoic acid IUPAC Name: 5-acetamido-2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 5-acetamido-2-[[[4-(carboxymethyl)phenyl]thio]methyl]benzoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)CSC2=CC=C(C=C2)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)CSC2=CC=C(C=C2)CC(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO5S/c1-11(20)19-14-5-4-13(16(9-14)18(23)24)10-25-15-6-2-12(3-7-15)8-17(21)22/h2-7,9H,8,10H2,1H3,(H,19,20)(H,21,22)(H,23,24)