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

Systemtic Name: octadecyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: octadecyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid octadecyl ester IUPAC Name: octadecyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid stearyl ester Formula: C27H43NO2S2 MolecularWeight: 477.76582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(29)23-31-27-28-24-20-17-18-21-25(24)32-27/h17-18,20-21H,2-16,19,22-23H2,1H3