ethyl 4-(16-sulfanylhexadecylamino)benzoate

Systemtic Name: ethyl 4-(16-sulfanylhexadecylamino)benzoate Openeye Name: ethyl 4-(16-sulfanylhexadecylamino)benzoate CAS Name: 4-(16-mercaptohexadecylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(16-sulfanylhexadecylamino)benzoate Traditional Name: 4-(16-mercaptohexadecylamino)benzoic acid ethyl ester Formula: C25H43NO2S MolecularWeight: 421.67942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO2S/c1-2-28-25(27)23-17-19-24(20-18-23)26-21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-29/h17-20,26,29H,2-16,21-22H2,1H3