1,3-benzothiazol-2-ylmethyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4S2/c1-11-7-8-12(24(2,20)21)9-13(11)17(19)22-10-16-18-14-5-3-4-6-15(14)23-16/h3-9H,10H2,1-2H3