ethyl 5-[[4,6-bis(chloranyl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]-2-propoxy-benzoate

Systemtic Name: ethyl 5-[[4,6-bis(chloranyl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]-2-propoxy-benzoate Openeye Name: ethyl 5-[(4,6-dichloro-2-methylsulfanyl-pyrimidin-5-yl)methyl]-2-propoxy-benzoate CAS Name: 5-[[4,6-dichloro-2-(methylthio)-5-pyrimidinyl]methyl]-2-propoxybenzoic acid ethyl ester IUPAC Name: ethyl 5-[(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methyl]-2-propoxybenzoate Traditional Name: 5-[[4,6-dichloro-2-(methylthio)pyrimidin-5-yl]methyl]-2-propoxy-benzoic acid ethyl ester Formula: C18H20Cl2N2O3S MolecularWeight: 415.334

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=C(N=C(N=C2Cl)SC)Cl)C(=O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=C(N=C(N=C2Cl)SC)Cl)C(=O)OCC

InChI

InChI=1S/C18H20Cl2N2O3S/c1-4-8-25-14-7-6-11(9-12(14)17(23)24-5-2)10-13-15(19)21-18(26-3)22-16(13)20/h6-7,9H,4-5,8,10H2,1-3H3