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

Systemtic Name: methyl 5-[(2-azanyl-2-oxidanylidene-ethyl)-[3-(4-octadecoxyphenyl)propanoyl]amino]-2-methylsulfanyl-benzoate Openeye Name: methyl 5-[(2-amino-2-oxo-ethyl)-[3-(4-octadecoxyphenyl)propanoyl]amino]-2-methylsulfanyl-benzoate CAS Name: 5-[(2-amino-2-oxoethyl)-[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 5-[(2-amino-2-oxoethyl)-[3-(4-octadecoxyphenyl)propanoyl]amino]-2-methylsulfanylbenzoate Traditional Name: 5-[(2-amino-2-keto-ethyl)-[3-(4-stearyloxyphenyl)propanoyl]amino]-2-(methylthio)benzoic acid methyl ester Formula: C38H58N2O5S MolecularWeight: 654.94252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H58N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-45-33-24-20-31(21-25-33)22-27-37(42)40(30-36(39)41)32-23-26-35(46-3)34(29-32)38(43)44-2/h20-21,23-26,29H,4-19,22,27-28,30H2,1-3H3,(H2,39,41)