ethyl 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-2-(2-furanyl)-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(furan-2-yl)-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=CO4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=CO4)C

InChI

InChI=1S/C21H19ClN2O5S/c1-3-27-21(25)17-12(2)23-19(16-5-4-6-28-16)24-20(17)30-10-14-8-15(22)7-13-9-26-11-29-18(13)14/h4-8H,3,9-11H2,1-2H3