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

Systemtic Name: ethyl (3S)-1-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(2-furyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(2-furanyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[5-(2-furyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H20N3O4S+ MolecularWeight: 338.402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=S)OC(=N2)C3=CC=CO3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=S)OC(=N2)C3=CC=CO3

InChI

InChI=1S/C15H19N3O4S/c1-2-20-14(19)11-5-3-7-17(9-11)10-18-15(23)22-13(16-18)12-6-4-8-21-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3/p+1/t11-/m0/s1