2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]-5-chloranyl-pyrimidine-4-carboxylate

Systemtic Name: 2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]-5-chloranyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[4-(difluoromethoxy)-3-methoxy-benzyl]thio]pyrimidine-4-carboxylate Formula: C14H10ClF2N2O4S- MolecularWeight: 375.755006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CSC2=NC=C(C(=N2)C(=O)[O-])Cl)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CSC2=NC=C(C(=N2)C(=O)[O-])Cl)OC(F)F

InChI

InChI=1S/C14H11ClF2N2O4S/c1-22-10-4-7(2-3-9(10)23-13(16)17)6-24-14-18-5-8(15)11(19-14)12(20)21/h2-5,13H,6H2,1H3,(H,20,21)/p-1