N-[(4-chlorophenyl)methyl]-7-methyl-2-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-7-methyl-2-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(4-hydroxybut-1-ynyl)-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(4-hydroxybut-1-ynyl)-7-methyl-4-oxo-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(4-hydroxybut-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide Traditional Name: N-(4-chlorobenzyl)-2-(4-hydroxybut-1-ynyl)-4-keto-7-methyl-thieno[2,3-b]pyridine-5-carboxamide Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1SC(=C2)C#CCCO)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1SC(=C2)C#CCCO)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-23-12-17(19(26)22-11-13-5-7-14(21)8-6-13)18(25)16-10-15(27-20(16)23)4-2-3-9-24/h5-8,10,12,24H,3,9,11H2,1H3,(H,22,26)