methyl 1-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]isonipecotic acid methyl ester Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN3O3S/c1-22-15(21)12-6-8-19(9-7-12)10-20-16(24)23-14(18-20)11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3