1,3-benzothiazol-2-ylmethyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO3S/c1-13-7-8-14(2)15(11-13)17(22)9-10-20(23)24-12-19-21-16-5-3-4-6-18(16)25-19/h3-8,11H,9-10,12H2,1-2H3