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

Systemtic Name: 3-azanyl-2-(diphenylcarbamoyl)-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-amino-2-(diphenylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-6-oxo-2-[oxo-(N-phenylanilino)methyl]-7H-thieno[2,3-b]pyridine-5-carboxylate IUPAC Name: 3-amino-2-(diphenylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-2-(diphenylcarbamoyl)-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylate Formula: C21H14N3O4S- MolecularWeight: 404.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)NC(=O)C(=C4)C(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)NC(=O)C(=C4)C(=O)[O-])N

InChI

InChI=1S/C21H15N3O4S/c22-16-14-11-15(21(27)28)18(25)23-19(14)29-17(16)20(26)24(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,22H2,(H,23,25)(H,27,28)/p-1