[5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethylbenzoate

Systemtic Name: [5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethylbenzoate Openeye Name: [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [5-(5-bromo-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br)C

InChI

InChI=1S/C16H13BrN2O3S/c1-9-5-10(2)7-11(6-9)16(20)21-8-14-18-19-15(22-14)12-3-4-13(17)23-12/h3-7H,8H2,1-2H3