ethyl 1-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H20N3O3S2+ MolecularWeight: 354.4676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=CS3

InChI

InChI=1S/C15H19N3O3S2/c1-2-20-14(19)11-5-7-17(8-6-11)10-18-15(22)21-13(16-18)12-4-3-9-23-12/h3-4,9,11H,2,5-8,10H2,1H3/p+1