2-methylsulfanyl-5-[2-(4-octadecoxyphenyl)ethanoylamino]benzoic acid

Systemtic Name: 2-methylsulfanyl-5-[2-(4-octadecoxyphenyl)ethanoylamino]benzoic acid Openeye Name: 2-methylsulfanyl-5-[[2-(4-octadecoxyphenyl)acetyl]amino]benzoic acid CAS Name: 2-(methylthio)-5-[[2-(4-octadecoxyphenyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-methylsulfanyl-5-[[2-(4-octadecoxyphenyl)acetyl]amino]benzoic acid Traditional Name: 2-(methylthio)-5-[[2-(4-stearyloxyphenyl)acetyl]amino]benzoic acid Formula: C34H51NO4S MolecularWeight: 569.83804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)SC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C34H51NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-39-30-22-19-28(20-23-30)26-33(36)35-29-21-24-32(40-2)31(27-29)34(37)38/h19-24,27H,3-18,25-26H2,1-2H3,(H,35,36)(H,37,38)