1,3-benzothiazol-2-ylmethyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H14N2O2S2 MolecularWeight: 402.48876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H14N2O2S2/c25-22(26-13-21-24-17-8-3-4-9-20(17)28-21)15-12-18(19-10-5-11-27-19)23-16-7-2-1-6-14(15)16/h1-12H,13H2