(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C18H15ClN2O5S2 MolecularWeight: 438.9051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C18H15ClN2O5S2/c1-11-3-4-12(2)16(9-11)28(23,24)26-14-7-5-13(6-8-14)18(22)25-10-15-17(19)27-21-20-15/h3-9H,10H2,1-2H3