3-azanyl-2-(1,3-benzodioxol-5-ylcarbamoyl)-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: 3-azanyl-2-(1,3-benzodioxol-5-ylcarbamoyl)-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-amino-2-(1,3-benzodioxol-5-ylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate IUPAC Name: 3-amino-2-(1,3-benzodioxol-5-ylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-2-(1,3-benzodioxol-5-ylcarbamoyl)-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylate Formula: C16H10N3O6S- MolecularWeight: 372.3321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C4=C(S3)NC(=O)C(=C4)C(=O)[O-])N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C4=C(S3)NC(=O)C(=C4)C(=O)[O-])N

InChI

InChI=1S/C16H11N3O6S/c17-11-7-4-8(16(22)23)13(20)19-15(7)26-12(11)14(21)18-6-1-2-9-10(3-6)25-5-24-9/h1-4H,5,17H2,(H,18,21)(H,19,20)(H,22,23)/p-1