3-azanyl-2-(1,3-benzothiazol-2-ylcarbamoyl)-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-ylcarbamoyl)-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-amino-2-(1,3-benzothiazol-2-ylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 3-amino-2-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-ylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-amino-2-(1,3-benzothiazol-2-ylcarbamoyl)-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C16H10N4O4S2 MolecularWeight: 386.405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)NC(=O)C(=C4)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)NC(=O)C(=C4)C(=O)O)N

InChI

InChI=1S/C16H10N4O4S2/c17-10-6-5-7(15(23)24)12(21)19-14(6)26-11(10)13(22)20-16-18-8-3-1-2-4-9(8)25-16/h1-5H,17H2,(H,19,21)(H,23,24)(H,18,20,22)