2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-oxidanylidene-5-phenyl-pentanal

Systemtic Name: 2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-oxidanylidene-5-phenyl-pentanal Openeye Name: 2-methyl-3-(4-methylsulfanylphenyl)-2-morpholino-5-oxo-5-phenyl-pentanal CAS Name: 2-methyl-3-[4-(methylthio)phenyl]-2-(4-morpholinyl)-5-oxo-5-phenylpentanal IUPAC Name: 2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-oxo-5-phenylpentanal Traditional Name: 5-keto-2-methyl-3-[4-(methylthio)phenyl]-2-morpholino-5-phenyl-valeraldehyde Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)(C(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)SC)N3CCOCC3

Isomeric SMILES

CC(C=O)(C(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)SC)N3CCOCC3

InChI

InChI=1S/C23H27NO3S/c1-23(17-25,24-12-14-27-15-13-24)21(18-8-10-20(28-2)11-9-18)16-22(26)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3