[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C28H20BrNO5S MolecularWeight: 562.4311

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCC(=O)C6=CC=C(S6)Br

Isomeric SMILES

C1C/C(=C\C2=CC3=C(C=C2)OCO3)/C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCC(=O)C6=CC=C(S6)Br

InChI

InChI=1S/C28H20BrNO5S/c29-25-11-10-24(36-25)21(31)14-33-28(32)26-18-5-1-2-7-20(18)30-27-17(4-3-6-19(26)27)12-16-8-9-22-23(13-16)35-15-34-22/h1-2,5,7-13H,3-4,6,14-15H2/b17-12+