ethyl 2-benzamido-3-[4-(1-dodecylsulfanylethoxy)phenyl]propanoate

Systemtic Name: ethyl 2-benzamido-3-[4-(1-dodecylsulfanylethoxy)phenyl]propanoate Openeye Name: ethyl 2-benzamido-3-[4-(1-dodecylsulfanylethoxy)phenyl]propanoate CAS Name: 2-benzamido-3-[4-[1-(dodecylthio)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-benzamido-3-[4-(1-dodecylsulfanylethoxy)phenyl]propanoate Traditional Name: 2-benzamido-3-[4-[1-(laurylthio)ethoxy]phenyl]propionic acid ethyl ester Formula: C32H47NO4S MolecularWeight: 541.78488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(C)OC1=CC=C(C=C1)CC(C(=O)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC(C)OC1=CC=C(C=C1)CC(C(=O)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C32H47NO4S/c1-4-6-7-8-9-10-11-12-13-17-24-38-26(3)37-29-22-20-27(21-23-29)25-30(32(35)36-5-2)33-31(34)28-18-15-14-16-19-28/h14-16,18-23,26,30H,4-13,17,24-25H2,1-3H3,(H,33,34)