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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [1-(4-fluorophenyl)-2-keto-2-(piperonylamino)ethyl] ester Formula: C21H16FNO5S MolecularWeight: 413.418843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C3=CC=C(C=C3)F)OC(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C3=CC=C(C=C3)F)OC(=O)C4=CC=CS4

InChI

InChI=1S/C21H16FNO5S/c22-15-6-4-14(5-7-15)19(28-21(25)18-2-1-9-29-18)20(24)23-11-13-3-8-16-17(10-13)27-12-26-16/h1-10,19H,11-12H2,(H,23,24)