methyl 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C22H21N3O2S/c1-14-15-8-4-5-9-16(15)23-18(21(14)22(26)27-3)12-25(2)13-20-24-17-10-6-7-11-19(17)28-20/h4-11H,12-13H2,1-3H3