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

Systemtic Name: methyl 1-[[5-(3-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[5-(3-chlorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(3-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(3-chlorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]isonipecotic acid methyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3S/c1-22-15(21)11-5-7-19(8-6-11)10-20-16(24)23-14(18-20)12-3-2-4-13(17)9-12/h2-4,9,11H,5-8,10H2,1H3