2-methoxy-5-[[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-phenyl-2-phenylsulfanyl-acetyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-phenyl-2-phenylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-phenyl-2-(phenylthio)acetyl]amino]methyl]benzoic acid Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H21NO4S/c1-28-20-13-12-16(14-19(20)23(26)27)15-24-22(25)21(17-8-4-2-5-9-17)29-18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,24,25)(H,26,27)