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

Systemtic Name: methyl 6-[3-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-6-(4-nonylphenyl)hexanoate Openeye Name: methyl 6-[3-[(3-ethoxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-6-(4-nonylphenyl)hexanoate CAS Name: 6-[[3-[(3-ethoxy-1,3-dioxopropyl)amino]phenyl]thio]-6-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-[3-[(3-ethoxy-3-oxopropanoyl)amino]phenyl]sulfanyl-6-(4-nonylphenyl)hexanoate Traditional Name: 6-[[3-[(3-ethoxy-3-keto-propanoyl)amino]phenyl]thio]-6-(4-nonylphenyl)hexanoic acid methyl ester Formula: C33H47NO5S MolecularWeight: 569.79498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SC2=CC=CC(=C2)NC(=O)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SC2=CC=CC(=C2)NC(=O)CC(=O)OCC

InChI

InChI=1S/C33H47NO5S/c1-4-6-7-8-9-10-11-15-26-20-22-27(23-21-26)30(18-12-13-19-32(36)38-3)40-29-17-14-16-28(24-29)34-31(35)25-33(37)39-5-2/h14,16-17,20-24,30H,4-13,15,18-19,25H2,1-3H3,(H,34,35)