methyl 2-methylsulfanyl-5-[2-(4-octadecoxyphenyl)ethanoylamino]benzoate

Systemtic Name: methyl 2-methylsulfanyl-5-[2-(4-octadecoxyphenyl)ethanoylamino]benzoate Openeye Name: methyl 2-methylsulfanyl-5-[[2-(4-octadecoxyphenyl)acetyl]amino]benzoate CAS Name: 2-(methylthio)-5-[[2-(4-octadecoxyphenyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-5-[[2-(4-octadecoxyphenyl)acetyl]amino]benzoate Traditional Name: 2-(methylthio)-5-[[2-(4-stearyloxyphenyl)acetyl]amino]benzoic acid methyl ester Formula: C35H53NO4S MolecularWeight: 583.86462

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C35H53NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-40-31-23-20-29(21-24-31)27-34(37)36-30-22-25-33(41-3)32(28-30)35(38)39-2/h20-25,28H,4-19,26-27H2,1-3H3,(H,36,37)