[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-yl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-yl] ester Formula: C19H19N5O6S MolecularWeight: 445.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C#CCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-2-9-22-10-16(24(28,12-22)19-21-20-18(31-19)13-3-4-13)30-17(25)11-29-15-7-5-14(6-8-15)23(26)27/h1,5-8,13,16H,3-4,9-12H2