1,3-benzothiazol-2-ylmethyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(methylsulfonylmethyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4S2/c1-24(20,21)11-12-6-8-13(9-7-12)17(19)22-10-16-18-14-4-2-3-5-15(14)23-16/h2-9H,10-11H2,1H3