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

Systemtic Name: methyl 2-(2-hydroxyethylsulfanyl)-5-[methyl-[2-(4-octadecoxyphenyl)ethanoyl]amino]benzoate Openeye Name: methyl 2-(2-hydroxyethylsulfanyl)-5-[methyl-[2-(4-octadecoxyphenyl)acetyl]amino]benzoate CAS Name: 2-(2-hydroxyethylthio)-5-[methyl-[2-(4-octadecoxyphenyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(2-hydroxyethylsulfanyl)-5-[methyl-[2-(4-octadecoxyphenyl)acetyl]amino]benzoate Traditional Name: 2-(2-hydroxyethylthio)-5-[methyl-[2-(4-stearyloxyphenyl)acetyl]amino]benzoic acid methyl ester Formula: C37H57NO5S MolecularWeight: 627.91718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H57NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-43-33-23-20-31(21-24-33)29-36(40)38(2)32-22-25-35(44-28-26-39)34(30-32)37(41)42-3/h20-25,30,39H,4-19,26-29H2,1-3H3