2-[[5-methyl-2,4-bis(oxidanylidene)-6-phenylsulfanyl-pyrimidin-1-yl]methoxy]ethyl undecanoate

Systemtic Name: 2-[[5-methyl-2,4-bis(oxidanylidene)-6-phenylsulfanyl-pyrimidin-1-yl]methoxy]ethyl undecanoate Openeye Name: 2-[(5-methyl-2,4-dioxo-6-phenylsulfanyl-pyrimidin-1-yl)methoxy]ethyl undecanoate CAS Name: undecanoic acid 2-[[5-methyl-2,4-dioxo-6-(phenylthio)-1-pyrimidinyl]methoxy]ethyl ester IUPAC Name: 2-[(5-methyl-2,4-dioxo-6-phenylsulfanylpyrimidin-1-yl)methoxy]ethyl undecanoate Traditional Name: undecanoic acid 2-[[2,4-diketo-5-methyl-6-(phenylthio)pyrimidin-1-yl]methoxy]ethyl ester Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OCCOCN1C(=C(C(=O)NC1=O)C)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC(=O)OCCOCN1C(=C(C(=O)NC1=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C25H36N2O5S/c1-3-4-5-6-7-8-9-13-16-22(28)32-18-17-31-19-27-24(20(2)23(29)26-25(27)30)33-21-14-11-10-12-15-21/h10-12,14-15H,3-9,13,16-19H2,1-2H3,(H,26,29,30)