ethyl 2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoate

Systemtic Name: ethyl 2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoate Openeye Name: ethyl 2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoate CAS Name: 2-benzamido-3-[4-[2-(dodecylthio)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoate Traditional Name: 2-benzamido-3-[4-[2-(laurylthio)ethoxy]phenyl]propionic acid ethyl ester Formula: C32H47NO4S MolecularWeight: 541.78488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCOC1=CC=C(C=C1)CC(C(=O)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSCCOC1=CC=C(C=C1)CC(C(=O)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C32H47NO4S/c1-3-5-6-7-8-9-10-11-12-16-24-38-25-23-37-29-21-19-27(20-22-29)26-30(32(35)36-4-2)33-31(34)28-17-14-13-15-18-28/h13-15,17-22,30H,3-12,16,23-26H2,1-2H3,(H,33,34)