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

Systemtic Name: ethyl 7-(3-methylbutyl)-6-oxidanylidene-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 7-isopentyl-6-oxo-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 7-(3-methylbutyl)-6-oxo-3-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-methylbutyl)-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 7-isoamyl-6-keto-3-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S/c1-4-25-21(24)19-18(15-8-6-5-7-9-15)16-10-11-17(23)22(20(16)26-19)13-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3