dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid dodecyl ester IUPAC Name: dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid lauryl ester Formula: C22H33NO2S2 MolecularWeight: 407.63292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C22H33NO2S2/c1-2-3-4-5-6-7-8-9-10-13-17-25-21(24)16-18-26-22-23-19-14-11-12-15-20(19)27-22/h11-12,14-15H,2-10,13,16-18H2,1H3