N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-oxidanylbutyl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-oxidanylbutyl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybutyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybutyl)-4-oxo-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybutyl)-4-oxothieno[2,3-b]pyridine-5-carboxamide Traditional Name: N-(4-chlorobenzyl)-7-ethyl-2-(4-hydroxybutyl)-4-keto-thieno[2,3-b]pyridine-5-carboxamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1SC(=C2)CCCCO)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=C1SC(=C2)CCCCO)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-2-24-13-18(20(27)23-12-14-6-8-15(22)9-7-14)19(26)17-11-16(28-21(17)24)5-3-4-10-25/h6-9,11,13,25H,2-5,10,12H2,1H3,(H,23,27)