[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)C)C)C

InChI

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