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

Systemtic Name: 6-(4-bromophenyl)-3-(2-hydroxyethyliminomethylamino)-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-(4-bromophenyl)-3-(2-hydroxyethyliminomethylamino)-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(4-bromophenyl)-3-(2-hydroxyethyliminomethylamino)-4-methyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(4-bromophenyl)-3-(2-hydroxyethyliminomethylamino)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(4-bromophenyl)-3-(2-hydroxyethyliminomethylamino)-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)O)NC=NCCO)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)O)NC=NCCO)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O3S/c1-10-8-13(11-2-4-12(19)5-3-11)22-17-14(10)15(16(26-17)18(24)25)21-9-20-6-7-23/h2-5,8-9,23H,6-7H2,1H3,(H,20,21)(H,24,25)