1,3-benzothiazol-2-ylmethyl 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2,6-dimethylquinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H16N2O2S MolecularWeight: 348.41824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H16N2O2S/c1-12-7-8-16-14(9-12)15(10-13(2)21-16)20(23)24-11-19-22-17-5-3-4-6-18(17)25-19/h3-10H,11H2,1-2H3