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

Systemtic Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 4-[[5-(p-tolyl)-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-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-methylphenyl)-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-(p-tolyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C22H15ClN2O3S2 MolecularWeight: 454.9491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H15ClN2O3S2/c1-14-8-10-15(11-9-14)20-24-25-22(28-20)29-13-5-4-12-27-21(26)19-18(23)16-6-2-3-7-17(16)30-19/h2-3,6-11H,12-13H2,1H3