ethyl 6-[[2,6-bis(fluoranyl)phenyl]carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[2,6-bis(fluoranyl)phenyl]carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2,6-difluorobenzoyl)oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(2,6-difluorophenyl)-oxomethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2,6-difluorobenzoyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(2,6-difluorobenzoyl)oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H16F2N2O5S MolecularWeight: 422.402546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C19H16F2N2O5S/c1-2-27-18(25)15-12(22-19(26)23-16(15)13-7-4-8-29-13)9-28-17(24)14-10(20)5-3-6-11(14)21/h3-8,16H,2,9H2,1H3,(H2,22,23,26)