[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoate CAS Name: 3-(4-fluorophenyl)-2-thiophen-2-yl-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: 3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C23H18FNO5S MolecularWeight: 439.456123

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C(=CC3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C(=CC3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C23H18FNO5S/c24-17-6-3-15(4-7-17)10-18(21-2-1-9-31-21)23(27)28-13-22(26)25-12-16-5-8-19-20(11-16)30-14-29-19/h1-11H,12-14H2,(H,25,26)