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

Systemtic Name: 5-ethynyl-N-[1-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[1-methyl-2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[1-[3-methyl-4-(3-oxo-4-morpholinyl)anilino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-2-[4-(3-ketomorpholino)-3-methyl-anilino]-1-methyl-ethyl]thiophene-2-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2=CC=C(S2)C#C)N3CCOCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2=CC=C(S2)C#C)N3CCOCC3=O

InChI

InChI=1S/C21H21N3O4S/c1-4-16-6-8-18(29-16)21(27)22-14(3)20(26)23-15-5-7-17(13(2)11-15)24-9-10-28-12-19(24)25/h1,5-8,11,14H,9-10,12H2,2-3H3,(H,22,27)(H,23,26)