1,3-benzothiazol-2-ylmethyl 2,5-dimethylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2S/c1-11-7-8-12(2)13(9-11)17(19)20-10-16-18-14-5-3-4-6-15(14)21-16/h3-9H,10H2,1-2H3