2-bromanyl-7-butyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 2-bromanyl-7-butyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 2-bromo-7-butyl-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 2-bromo-7-butyl-4-oxo-5-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-bromo-7-butyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 2-bromo-7-butyl-4-keto-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C12H12BrNO3S MolecularWeight: 330.19758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=C1SC(=C2)Br)C(=O)O

Isomeric SMILES

CCCCN1C=C(C(=O)C2=C1SC(=C2)Br)C(=O)O

InChI

InChI=1S/C12H12BrNO3S/c1-2-3-4-14-6-8(12(16)17)10(15)7-5-9(13)18-11(7)14/h5-6H,2-4H2,1H3,(H,16,17)