(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC3=C(C=C2)N=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC3=C(C=C2)N=CS3)C

InChI

InChI=1S/C20H19NO3S/c1-11-7-12(2)19(14(4)22)13(3)16(11)9-24-20(23)15-5-6-17-18(8-15)25-10-21-17/h5-8,10H,9H2,1-4H3