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

Systemtic Name: 2-chloranyl-3-(4-ethyl-2-oxidanyl-phenyl)-6-oxidanyl-5-phenyl-7H-thieno[2,3-b]pyridin-4-one Openeye Name: 2-chloro-3-(4-ethyl-2-hydroxy-phenyl)-6-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-4-one CAS Name: 2-chloro-3-(4-ethyl-2-hydroxyphenyl)-6-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-4-one IUPAC Name: 2-chloro-3-(4-ethyl-2-hydroxyphenyl)-6-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-4-one Traditional Name: 2-chloro-3-(4-ethyl-2-hydroxy-phenyl)-6-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-4-one Formula: C21H16ClNO3S MolecularWeight: 397.87464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2=C(SC3=C2C(=O)C(=C(N3)O)C4=CC=CC=C4)Cl)O

Isomeric SMILES

CCC1=CC(=C(C=C1)C2=C(SC3=C2C(=O)C(=C(N3)O)C4=CC=CC=C4)Cl)O

InChI

InChI=1S/C21H16ClNO3S/c1-2-11-8-9-13(14(24)10-11)16-17-18(25)15(12-6-4-3-5-7-12)20(26)23-21(17)27-19(16)22/h3-10,24H,2H2,1H3,(H2,23,25,26)