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

Systemtic Name: 2-methoxyethyl (6R)-3-(3-ethoxypropyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C20H27FN2O4S MolecularWeight: 410.502783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN2O4S/c1-4-26-10-6-9-23-14(2)17(19(24)27-12-11-25-3)18(22-20(23)28)15-7-5-8-16(21)13-15/h5,7-8,13,18H,4,6,9-12H2,1-3H3,(H,22,28)/t18-/m1/s1