ethyl 7-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-6-oxidanylidene-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 7-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-6-oxidanylidene-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 7-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-6-oxo-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 7-[4-[(2-methyl-1-imidazolyl)methyl]phenyl]-6-oxo-3-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-keto-7-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N(C(=O)C=C2)C3=CC=C(C=C3)CN4C=CN=C4C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N(C(=O)C=C2)C3=CC=C(C=C3)CN4C=CN=C4C)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3S/c1-3-33-27(32)25-24(20-7-5-4-6-8-20)22-13-14-23(31)30(26(22)34-25)21-11-9-19(10-12-21)17-29-16-15-28-18(29)2/h4-16H,3,17H2,1-2H3