(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic 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 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C20H18BrN3O4S MolecularWeight: 476.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NOC(=N2)C3=CSC=C3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NOC(=N2)C3=CSC=C3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O4S/c21-16-3-1-13(2-4-16)19(25)24-8-5-14(6-9-24)20(26)27-11-17-22-18(28-23-17)15-7-10-29-12-15/h1-4,7,10,12,14H,5-6,8-9,11H2