[oxidanyl-[5-oxidanylidene-4-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [oxidanyl-[5-oxidanylidene-4-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate Openeye Name: [hydroxy-[5-oxo-4-(3-thienylmethyl)-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[5-oxo-4-(3-thiophenylmethyl)-1,3,4-oxadiazol-2-yl]methyl] ester IUPAC Name: [hydroxy-[5-oxo-4-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [hydroxy-[5-keto-4-(3-thenyl)-1,3,4-oxadiazol-2-yl]methyl] ester Formula: C15H14N2O6S2 MolecularWeight: 382.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=NN(C(=O)O2)CC3=CSC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=NN(C(=O)O2)CC3=CSC=C3)O

InChI

InChI=1S/C15H14N2O6S2/c1-10-2-4-12(5-3-10)25(20,21)23-14(18)13-16-17(15(19)22-13)8-11-6-7-24-9-11/h2-7,9,14,18H,8H2,1H3