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

Systemtic Name: methyl 5-[methyl-[3-(4-octadecoxyphenyl)propanoyl]amino]-2-methylsulfanyl-benzoate Openeye Name: methyl 5-[methyl-[3-(4-octadecoxyphenyl)propanoyl]amino]-2-methylsulfanyl-benzoate CAS Name: 5-[methyl-[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 5-[methyl-[3-(4-octadecoxyphenyl)propanoyl]amino]-2-methylsulfanylbenzoate Traditional Name: 5-[methyl-[3-(4-stearyloxyphenyl)propanoyl]amino]-2-(methylthio)benzoic acid methyl ester Formula: C37H57NO4S MolecularWeight: 611.91778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H57NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-42-33-25-21-31(22-26-33)23-28-36(39)38(2)32-24-27-35(43-4)34(30-32)37(40)41-3/h21-22,24-27,30H,5-20,23,28-29H2,1-4H3