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

Systemtic Name: 5-ethynyl-N-[1-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[1-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]-3-methylsulfonyl-propyl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[1-[3-methyl-4-(3-oxo-4-morpholinyl)anilino]-4-methylsulfonyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-4-methylsulfonyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[1-[[4-(3-ketomorpholino)-3-methyl-phenyl]carbamoyl]-3-mesyl-propyl]thiophene-2-carboxamide Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6S2/c1-4-17-6-8-20(33-17)23(29)25-18(9-12-34(3,30)31)22(28)24-16-5-7-19(15(2)13-16)26-10-11-32-14-21(26)27/h1,5-8,13,18H,9-12,14H2,2-3H3,(H,24,28)(H,25,29)