3-(2-chloranyl-6-oxidanyl-4-oxidanylidene-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)benzoic acid

Systemtic Name: 3-(2-chloranyl-6-oxidanyl-4-oxidanylidene-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)benzoic acid Openeye Name: 3-(2-chloro-6-hydroxy-4-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)benzoic acid CAS Name: 3-(2-chloro-6-hydroxy-4-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)benzoic acid IUPAC Name: 3-(2-chloro-6-hydroxy-4-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)benzoic acid Traditional Name: 3-(2-chloro-6-hydroxy-4-keto-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)benzoic acid Formula: C20H12ClNO4S MolecularWeight: 397.83158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC3=C(C2=O)C(=C(S3)Cl)C4=CC(=CC=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC3=C(C2=O)C(=C(S3)Cl)C4=CC(=CC=C4)C(=O)O)O

InChI

InChI=1S/C20H12ClNO4S/c21-17-13(11-7-4-8-12(9-11)20(25)26)15-16(23)14(10-5-2-1-3-6-10)18(24)22-19(15)27-17/h1-9H,(H,25,26)(H2,22,23,24)