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

Systemtic Name: 2-methylsulfanyl-5-[2-[(4-octadecoxyphenyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-methylsulfanyl-5-[[2-(4-octadecoxyanilino)acetyl]amino]benzoic acid CAS Name: 2-(methylthio)-5-[[2-(4-octadecoxyanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-methylsulfanyl-5-[[2-(4-octadecoxyanilino)acetyl]amino]benzoic acid Traditional Name: 2-(methylthio)-5-[[2-(4-stearyloxyanilino)acetyl]amino]benzoic acid Formula: C34H52N2O4S MolecularWeight: 584.85268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H52N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-40-30-22-19-28(20-23-30)35-27-33(37)36-29-21-24-32(41-2)31(26-29)34(38)39/h19-24,26,35H,3-18,25,27H2,1-2H3,(H,36,37)(H,38,39)