ethyl 7-(3-bromophenyl)-6-oxidanylidene-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 7-(3-bromophenyl)-6-oxidanylidene-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 7-(3-bromophenyl)-6-oxo-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 7-(3-bromophenyl)-6-oxo-3-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-bromophenyl)-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 7-(3-bromophenyl)-6-keto-3-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C22H16BrNO3S MolecularWeight: 454.33634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N(C(=O)C=C2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N(C(=O)C=C2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H16BrNO3S/c1-2-27-22(26)20-19(14-7-4-3-5-8-14)17-11-12-18(25)24(21(17)28-20)16-10-6-9-15(23)13-16/h3-13H,2H2,1H3