ethyl 4-(6-ethanoylsulfanylhexadecylamino)benzoate

Systemtic Name: ethyl 4-(6-ethanoylsulfanylhexadecylamino)benzoate Openeye Name: ethyl 4-(6-acetylsulfanylhexadecylamino)benzoate CAS Name: 4-[6-(acetylthio)hexadecylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-acetylsulfanylhexadecylamino)benzoate Traditional Name: 4-[6-(acetylthio)hexadecylamino]benzoic acid ethyl ester Formula: C27H45NO3S MolecularWeight: 463.7161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCNC1=CC=C(C=C1)C(=O)OCC)SC(=O)C

Isomeric SMILES

CCCCCCCCCCC(CCCCCNC1=CC=C(C=C1)C(=O)OCC)SC(=O)C

InChI

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