2-[[4-(2-ethoxyphenyl)carbonylpiperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(2-ethoxyphenyl)carbonylpiperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[(2-ethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-5-[[4-(methylthio)phenyl]methoxy]-4-pyranone IUPAC Name: 2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(2-ethoxybenzoyl)piperazino]methyl]-5-[4-(methylthio)benzyl]oxy-pyran-4-one Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)SC

InChI

InChI=1S/C27H30N2O5S/c1-3-32-25-7-5-4-6-23(25)27(31)29-14-12-28(13-15-29)17-21-16-24(30)26(19-33-21)34-18-20-8-10-22(35-2)11-9-20/h4-11,16,19H,3,12-15,17-18H2,1-2H3