[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO3S/c1-11-4-5-14(8-12(11)2)18(21)13(3)23-19(22)15-6-7-16-17(9-15)24-10-20-16/h4-10,13H,1-3H3