1,3-benzodioxol-5-ylmethyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid piperonyl ester Formula: C22H15NO4S MolecularWeight: 389.4238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H15NO4S/c24-22(25-12-14-7-8-19-20(10-14)27-13-26-19)16-11-18(21-6-3-9-28-21)23-17-5-2-1-4-15(16)17/h1-11H,12-13H2