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

Systemtic Name: N-[(4-chlorophenyl)methyl]-7-methyl-4-oxidanylidene-2-(phenacyloxymethyl)thieno[2,3-b]pyridine-5-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-2-(phenacyloxymethyl)thieno[2,3-b]pyridine-5-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-2-(phenacyloxymethyl)-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-2-(phenacyloxymethyl)thieno[2,3-b]pyridine-5-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-7-methyl-2-(phenacyloxymethyl)thieno[2,3-b]pyridine-5-carboxamide Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1SC(=C2)COCC(=O)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1SC(=C2)COCC(=O)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O4S/c1-28-13-21(24(31)27-12-16-7-9-18(26)10-8-16)23(30)20-11-19(33-25(20)28)14-32-15-22(29)17-5-3-2-4-6-17/h2-11,13H,12,14-15H2,1H3,(H,27,31)