methyl 6-[4-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-[4-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 6-[4-[(3-ethoxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate CAS Name: 6-[[4-[(3-ethoxy-1,3-dioxopropyl)amino]phenyl]thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-[4-[(3-ethoxy-3-oxopropanoyl)amino]phenyl]sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate Traditional Name: 6-[[4-[(3-ethoxy-3-keto-propanoyl)amino]phenyl]thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C33H47NO6S MolecularWeight: 585.79438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=C(C=C2)NC(=O)CC(=O)OCC)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=C(C=C2)NC(=O)CC(=O)OCC)O)C(=O)OC

InChI

InChI=1S/C33H47NO6S/c1-4-6-7-8-9-10-11-12-25-13-15-26(16-14-25)30(33(38)39-3)22-19-28(35)24-41-29-20-17-27(18-21-29)34-31(36)23-32(37)40-5-2/h13-18,20-21,28,30,35H,4-12,19,22-24H2,1-3H3,(H,34,36)