methyl 3-butyl-6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-butyl-6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-6-(2-chloro-6-fluoro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-(2-chloro-6-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-6-(2-chloro-6-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-(2-chloro-6-fluoro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H20ClFN2O2S MolecularWeight: 370.869303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=S)C2=C(C=CC=C2Cl)F)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=S)C2=C(C=CC=C2Cl)F)C(=O)OC)C

InChI

InChI=1S/C17H20ClFN2O2S/c1-4-5-9-21-10(2)13(16(22)23-3)15(20-17(21)24)14-11(18)7-6-8-12(14)19/h6-8,15H,4-5,9H2,1-3H3,(H,20,24)