5-ethynyl-N-[2-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: 5-ethynyl-N-[2-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-1-(3-pyridyl)ethyl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[2-[3-methyl-4-(3-oxo-4-morpholinyl)anilino]-2-oxo-1-(3-pyridinyl)ethyl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-1-pyridin-3-ylethyl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-2-[4-(3-ketomorpholino)-3-methyl-anilino]-1-(3-pyridyl)ethyl]thiophene-2-carboxamide Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C2=CN=CC=C2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C2=CN=CC=C2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

InChI

InChI=1S/C25H22N4O4S/c1-3-19-7-9-21(34-19)24(31)28-23(17-5-4-10-26-14-17)25(32)27-18-6-8-20(16(2)13-18)29-11-12-33-15-22(29)30/h1,4-10,13-14,23H,11-12,15H2,2H3,(H,27,32)(H,28,31)