5-[(4-methylsulfanylphenyl)methoxy]-2-[(4-pent-4-enoylpiperazin-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[(4-methylsulfanylphenyl)methoxy]-2-[(4-pent-4-enoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(4-methylsulfanylphenyl)methoxy]-2-[(4-pent-4-enoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[[4-(methylthio)phenyl]methoxy]-2-[[4-(1-oxopent-4-enyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-methylsulfanylphenyl)methoxy]-2-[(4-pent-4-enoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-[4-(methylthio)benzyl]oxy-2-[(4-pent-4-enoylpiperazino)methyl]pyran-4-one Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CCC=C

Isomeric SMILES

CSC1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CCC=C

InChI

InChI=1S/C23H28N2O4S/c1-3-4-5-23(27)25-12-10-24(11-13-25)15-19-14-21(26)22(17-28-19)29-16-18-6-8-20(30-2)9-7-18/h3,6-9,14,17H,1,4-5,10-13,15-16H2,2H3