1,3-benzothiazol-2-ylmethyl 4-methylsulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S2/c1-23(19,20)12-8-6-11(7-9-12)16(18)21-10-15-17-13-4-2-3-5-14(13)22-15/h2-9H,10H2,1H3