ethyl 4-(16-ethanoylsulfanylhexadecylamino)benzoate

Systemtic Name: ethyl 4-(16-ethanoylsulfanylhexadecylamino)benzoate Openeye Name: ethyl 4-(16-acetylsulfanylhexadecylamino)benzoate CAS Name: 4-[16-(acetylthio)hexadecylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(16-acetylsulfanylhexadecylamino)benzoate Traditional Name: 4-[16-(acetylthio)hexadecylamino]benzoic acid ethyl ester Formula: C27H45NO3S MolecularWeight: 463.7161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCSC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCSC(=O)C

InChI

InChI=1S/C27H45NO3S/c1-3-31-27(30)25-18-20-26(21-19-25)28-22-16-14-12-10-8-6-4-5-7-9-11-13-15-17-23-32-24(2)29/h18-21,28H,3-17,22-23H2,1-2H3