ethyl 2-[6-[bis(fluoranyl)-phenyl-methyl]-3-ethyl-2-sulfanylidene-1,4-dihydropyrimidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[6-[bis(fluoranyl)-phenyl-methyl]-3-ethyl-2-sulfanylidene-1,4-dihydropyrimidin-4-yl]ethanoate Openeye Name: ethyl 2-[6-[difluoro(phenyl)methyl]-3-ethyl-2-thioxo-1,4-dihydropyrimidin-4-yl]acetate CAS Name: 2-[6-[difluoro(phenyl)methyl]-3-ethyl-2-sulfanylidene-1,4-dihydropyrimidin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[difluoro(phenyl)methyl]-3-ethyl-2-sulfanylidene-1,4-dihydropyrimidin-4-yl]acetate Traditional Name: 2-[6-[difluoro(phenyl)methyl]-3-ethyl-2-thioxo-1,4-dihydropyrimidin-4-yl]acetic acid ethyl ester Formula: C17H20F2N2O2S MolecularWeight: 354.414706

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C=C(NC1=S)C(C2=CC=CC=C2)(F)F)CC(=O)OCC

Isomeric SMILES

CCN1C(C=C(NC1=S)C(C2=CC=CC=C2)(F)F)CC(=O)OCC

InChI

InChI=1S/C17H20F2N2O2S/c1-3-21-13(11-15(22)23-4-2)10-14(20-16(21)24)17(18,19)12-8-6-5-7-9-12/h5-10,13H,3-4,11H2,1-2H3,(H,20,24)