ethyl (3R)-1-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(5-ethylsulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(5-esyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N2O5S2+ MolecularWeight: 413.5315

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=C(C=CC(=C3)S(=O)(=O)CC)OC2=S

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CN2C3=C(C=CC(=C3)S(=O)(=O)CC)OC2=S

InChI

InChI=1S/C18H24N2O5S2/c1-3-24-17(21)13-6-5-9-19(11-13)12-20-15-10-14(27(22,23)4-2)7-8-16(15)25-18(20)26/h7-8,10,13H,3-6,9,11-12H2,1-2H3/p+1/t13-/m1/s1