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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C3=CC=C(C=C3)Br)C(=C(S2)C(=O)O)N=CN4CCOCC4

Isomeric SMILES

CC1=NC2=C(C(=C1)C3=CC=C(C=C3)Br)C(=C(S2)C(=O)O)N=CN4CCOCC4

InChI

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