1,3-benzothiazol-2-ylmethyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H19NO5S2 MolecularWeight: 453.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H19NO5S2/c1-15-11-12-16(2)21(13-15)31(26,27)29-19-9-5-3-7-17(19)23(25)28-14-22-24-18-8-4-6-10-20(18)30-22/h3-13H,14H2,1-2H3