(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C12H11ClN2O4S2 MolecularWeight: 346.80974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C12H11ClN2O4S2/c1-7-3-4-8(21(2,17)18)5-9(7)12(16)19-6-10-11(13)20-15-14-10/h3-5H,6H2,1-2H3