2-chloranyl-3-(hydroxymethyl)-6-oxidanyl-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one

Systemtic Name: 2-chloranyl-3-(hydroxymethyl)-6-oxidanyl-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Openeye Name: 2-chloro-6-hydroxy-3-(hydroxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one CAS Name: 2-chloro-6-hydroxy-3-(hydroxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one IUPAC Name: 2-chloro-6-hydroxy-3-(hydroxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Traditional Name: 2-chloro-6-hydroxy-3-methylol-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Formula: C20H14ClNO4S MolecularWeight: 399.84746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(NC4=C(C3=O)C(=C(S4)Cl)CO)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(NC4=C(C3=O)C(=C(S4)Cl)CO)O

InChI

InChI=1S/C20H14ClNO4S/c21-18-14(10-23)16-17(24)15(19(25)22-20(16)27-18)11-5-4-8-13(9-11)26-12-6-2-1-3-7-12/h1-9,23H,10H2,(H2,22,24,25)