hexadecyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: hexadecyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: hexadecyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid cetyl ester Formula: C25H39NO2S2 MolecularWeight: 449.71266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C25H39NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24(27)21-29-25-26-22-18-15-16-19-23(22)30-25/h15-16,18-19H,2-14,17,20-21H2,1H3