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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H12ClNO4S2 MolecularWeight: 381.85378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO4S2/c1-24(20,21)10-6-7-12(17)11(8-10)16(19)22-9-15-18-13-4-2-3-5-14(13)23-15/h2-8H,9H2,1H3