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

Systemtic Name: 1,3-benzodioxol-5-yl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid 1,3-benzodioxol-5-yl ester Formula: C21H13NO4S MolecularWeight: 375.39722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13NO4S/c23-21(26-13-7-8-18-19(10-13)25-12-24-18)15-11-17(20-6-3-9-27-20)22-16-5-2-1-4-14(15)16/h1-11H,12H2