4-ethylsulfanyl-N-[2-methoxy-5-[4-(3-pentadecylphenoxy)butanoylamino]phenyl]-4-methyl-3-oxidanylidene-pentanamide

Systemtic Name: 4-ethylsulfanyl-N-[2-methoxy-5-[4-(3-pentadecylphenoxy)butanoylamino]phenyl]-4-methyl-3-oxidanylidene-pentanamide Openeye Name: 4-ethylsulfanyl-N-[2-methoxy-5-[4-(3-pentadecylphenoxy)butanoylamino]phenyl]-4-methyl-3-oxo-pentanamide CAS Name: 4-(ethylthio)-N-[2-methoxy-5-[[1-oxo-4-(3-pentadecylphenoxy)butyl]amino]phenyl]-4-methyl-3-oxopentanamide IUPAC Name: 4-ethylsulfanyl-N-[2-methoxy-5-[4-(3-pentadecylphenoxy)butanoylamino]phenyl]-4-methyl-3-oxopentanamide Traditional Name: 4-(ethylthio)-3-keto-N-[2-methoxy-5-[4-(3-pentadecylphenoxy)butanoylamino]phenyl]-4-methyl-valeramide Formula: C40H62N2O5S MolecularWeight: 682.99568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCCCC(=O)NC2=CC(=C(C=C2)OC)NC(=O)CC(=O)C(C)(C)SCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCCCC(=O)NC2=CC(=C(C=C2)OC)NC(=O)CC(=O)C(C)(C)SCC

InChI

InChI=1S/C40H62N2O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-22-32-23-20-24-34(29-32)47-28-21-25-38(44)41-33-26-27-36(46-5)35(30-33)42-39(45)31-37(43)40(3,4)48-7-2/h20,23-24,26-27,29-30H,6-19,21-22,25,28,31H2,1-5H3,(H,41,44)(H,42,45)