ethyl 6-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3-chloro-4-fluorophenyl)thio]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3-chloro-4-fluoro-phenyl)thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16ClFN2O4S MolecularWeight: 410.847043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H16ClFN2O4S/c1-2-25-17(23)15-13(9-27-10-5-6-12(20)11(19)8-10)21-18(24)22-16(15)14-4-3-7-26-14/h3-8,16H,2,9H2,1H3,(H2,21,22,24)