ethyl 6-[2,4-bis(fluoranyl)phenyl]-3-butyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[2,4-bis(fluoranyl)phenyl]-3-butyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-(2,4-difluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-(2,4-difluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-(2,4-difluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-(2,4-difluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H22F2N2O2S MolecularWeight: 368.441286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=S)C2=C(C=C(C=C2)F)F)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=S)C2=C(C=C(C=C2)F)F)C(=O)OCC)C

InChI

InChI=1S/C18H22F2N2O2S/c1-4-6-9-22-11(3)15(17(23)24-5-2)16(21-18(22)25)13-8-7-12(19)10-14(13)20/h7-8,10,16H,4-6,9H2,1-3H3,(H,21,25)