3-azanyl-2-(4-tert-butylphenyl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid hydrochloride

Systemtic Name: 3-azanyl-2-(4-tert-butylphenyl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid hydrochloride Openeye Name: 3-amino-2-(4-tert-butylbenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid hydrochloride CAS Name: 3-amino-2-[(4-tert-butylphenyl)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid hydrochloride IUPAC Name: 3-amino-2-(4-tert-butylbenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid hydrochloride Traditional Name: 3-amino-2-(4-tert-butylbenzoyl)-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid hydrochloride Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N.Cl

InChI

InChI=1S/C19H18N2O4S.ClH/c1-19(2,3)10-6-4-9(5-7-10)14(22)15-13(20)11-8-12(18(24)25)16(23)21-17(11)26-15;/h4-8H,20H2,1-3H3,(H,21,23)(H,24,25);1H