4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C21H12BrClN2O3S2 MolecularWeight: 519.81858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC(=CC=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC(=CC=C4)Br)Cl

InChI

InChI=1S/C21H12BrClN2O3S2/c22-14-7-5-6-13(12-14)19-24-25-21(28-19)29-11-4-3-10-27-20(26)18-17(23)15-8-1-2-9-16(15)30-18/h1-2,5-9,12H,10-11H2