5-[[3,6-bis(azanyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[3,6-bis(azanyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]-2-oxidanyl-benzoate Openeye Name: 5-[(3,6-diamino-5-cyano-4-phenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoate CAS Name: 5-[[(3,6-diamino-5-cyano-4-phenyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[(3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxybenzoate Traditional Name: 5-[(3,6-diamino-5-cyano-4-phenyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoate Formula: C22H14N5O4S- MolecularWeight: 444.44266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC(=C(C=C4)O)C(=O)[O-])N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC(=C(C=C4)O)C(=O)[O-])N)N)C#N

InChI

InChI=1S/C22H15N5O4S/c23-9-13-15(10-4-2-1-3-5-10)16-17(24)18(32-21(16)27-19(13)25)20(29)26-11-6-7-14(28)12(8-11)22(30)31/h1-8,28H,24H2,(H2,25,27)(H,26,29)(H,30,31)/p-1