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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H55NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-41-32-24-21-30(22-25-32)28-35(38)37(2)31-23-26-34(42-4)33(29-31)36(39)40-3/h21-26,29H,5-20,27-28H2,1-4H3