6-(4-bromophenyl)-4-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 6-(4-bromophenyl)-4-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-(4-bromophenyl)-4-methyl-3-(morpholinomethyleneamino)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(4-bromophenyl)-4-methyl-3-(4-morpholinylmethylideneamino)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(4-bromophenyl)-4-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(4-bromophenyl)-4-methyl-3-(morpholinomethyleneamino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H18BrN3O3S MolecularWeight: 460.34422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)O)N=CN3CCOCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)O)N=CN3CCOCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O3S/c1-12-10-15(13-2-4-14(21)5-3-13)23-19-16(12)17(18(28-19)20(25)26)22-11-24-6-8-27-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,25,26)