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

Systemtic Name: 5-ethynyl-N-[2-methyl-1-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[1-methyl-2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(3-oxo-4-morpholinyl)anilino]-3-(methylthio)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-methylsulfanyl-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-2-[4-(3-ketomorpholino)-3-methyl-anilino]-1-methyl-1-[(methylthio)methyl]ethyl]thiophene-2-carboxamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S2/c1-5-17-7-9-19(32-17)21(28)25-23(3,14-31-4)22(29)24-16-6-8-18(15(2)12-16)26-10-11-30-13-20(26)27/h1,6-9,12H,10-11,13-14H2,2-4H3,(H,24,29)(H,25,28)