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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C15H11ClN2O5S2 MolecularWeight: 398.84124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=NOC(=N2)C3=CSC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=NOC(=N2)C3=CSC=C3

InChI

InChI=1S/C15H11ClN2O5S2/c1-25(20,21)10-2-3-12(16)11(6-10)15(19)22-7-13-17-14(23-18-13)9-4-5-24-8-9/h2-6,8H,7H2,1H3