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

Systemtic Name: methyl (6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(2-chloro-6-fluoro-phenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2-chloro-6-fluorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2-chloro-6-fluorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2-chloro-6-fluoro-phenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H22ClFN2O3S MolecularWeight: 400.895283

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=C(C=CC=C2Cl)F)C(=O)OC)C

Isomeric SMILES

CCOCCCN1C(=C([C@H](NC1=S)C2=C(C=CC=C2Cl)F)C(=O)OC)C

InChI

InChI=1S/C18H22ClFN2O3S/c1-4-25-10-6-9-22-11(2)14(17(23)24-3)16(21-18(22)26)15-12(19)7-5-8-13(15)20/h5,7-8,16H,4,6,9-10H2,1-3H3,(H,21,26)/t16-/m0/s1