[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-thiazolecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H15FN2O5S MolecularWeight: 414.406903

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CSC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CSC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H15FN2O5S/c21-14-4-2-13(3-5-14)19-23-15(10-29-19)20(25)26-9-18(24)22-8-12-1-6-16-17(7-12)28-11-27-16/h1-7,10H,8-9,11H2,(H,22,24)