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

Systemtic Name: methyl 2-(4-methoxycarbonylphenyl)sulfanyl-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate Openeye Name: methyl 2-(4-methoxycarbonylphenyl)sulfanyl-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate CAS Name: 2-[(4-methoxycarbonylphenyl)thio]-5-[[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(4-methoxycarbonylphenyl)sulfanyl-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[(4-carbomethoxyphenyl)thio]-5-[3-(4-stearyloxyphenyl)propanoylamino]benzoic acid methyl ester Formula: C43H59NO6S MolecularWeight: 717.99666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)SC3=CC=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)SC3=CC=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C43H59NO6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-50-37-26-20-34(21-27-37)22-31-41(45)44-36-25-30-40(39(33-36)43(47)49-3)51-38-28-23-35(24-29-38)42(46)48-2/h20-21,23-30,33H,4-19,22,31-32H2,1-3H3,(H,44,45)