octadecyl 4-[(2-methylsulfanyl-2H-1,3-benzothiazol-3-yl)methyl]benzoate

Systemtic Name: octadecyl 4-[(2-methylsulfanyl-2H-1,3-benzothiazol-3-yl)methyl]benzoate Openeye Name: octadecyl 4-[(2-methylsulfanyl-2H-1,3-benzothiazol-3-yl)methyl]benzoate CAS Name: 4-[[2-(methylthio)-2H-1,3-benzothiazol-3-yl]methyl]benzoic acid octadecyl ester IUPAC Name: octadecyl 4-[(2-methylsulfanyl-2H-1,3-benzothiazol-3-yl)methyl]benzoate Traditional Name: 4-[[2-(methylthio)-2H-1,3-benzothiazol-3-yl]methyl]benzoic acid stearyl ester Formula: C34H51NO2S2 MolecularWeight: 569.90424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CN2C(SC3=CC=CC=C32)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CN2C(SC3=CC=CC=C32)SC

InChI

InChI=1S/C34H51NO2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-37-33(36)30-25-23-29(24-26-30)28-35-31-21-18-19-22-32(31)39-34(35)38-2/h18-19,21-26,34H,3-17,20,27-28H2,1-2H3