methyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate

Systemtic Name: methyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate Openeye Name: methyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate CAS Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate Traditional Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid methyl ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27NO2S/c1-3-4-5-6-7-8-9-17-10-15-20-21(16-17)27-22(24-20)18-11-13-19(14-12-18)23(25)26-2/h10-16H,3-9H2,1-2H3