methyl 2-methylsulfanyl-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate

Systemtic Name: methyl 2-methylsulfanyl-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate Openeye Name: methyl 2-methylsulfanyl-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate CAS Name: 2-(methylthio)-5-[[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate Traditional Name: 2-(methylthio)-5-[3-(4-stearyloxyphenyl)propanoylamino]benzoic acid methyl ester Formula: C36H55NO4S MolecularWeight: 597.8912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H55NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-41-32-24-20-30(21-25-32)22-27-35(38)37-31-23-26-34(42-3)33(29-31)36(39)40-2/h20-21,23-26,29H,4-19,22,27-28H2,1-3H3,(H,37,38)