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

Systemtic Name: methyl 1-[[5-(phenylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(5-benzyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(phenylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(5-benzyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]isonipecotic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3S/c1-22-16(21)14-7-9-19(10-8-14)12-20-17(24)23-15(18-20)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3