3-azanyl-2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 3-azanyl-2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-amino-2-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 3-amino-2-[(4-chloro-2,5-dimethoxyanilino)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 3-amino-2-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-amino-2-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C17H14ClN3O6S MolecularWeight: 423.82756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N)OC)Cl

InChI

InChI=1S/C17H14ClN3O6S/c1-26-10-5-9(11(27-2)4-8(10)18)20-15(23)13-12(19)6-3-7(17(24)25)14(22)21-16(6)28-13/h3-5H,19H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)