methyl (6R)-3-(3-ethoxypropyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(3-ethoxypropyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(3-ethoxypropyl)-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-ethoxypropyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(3-ethoxypropyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-ethoxypropyl)-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H23FN2O3S MolecularWeight: 366.450223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN2O3S/c1-4-24-10-6-9-21-12(2)15(17(22)23-3)16(20-18(21)25)13-7-5-8-14(19)11-13/h5,7-8,11,16H,4,6,9-10H2,1-3H3,(H,20,25)/t16-/m1/s1