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

Systemtic Name: methyl (6R)-6-(3-fluorophenyl)-3-(6-methoxy-6-oxidanylidene-hexyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(3-fluorophenyl)-3-(6-methoxy-6-oxo-hexyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3-fluorophenyl)-3-(6-methoxy-6-oxohexyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(3-fluorophenyl)-3-(6-methoxy-6-oxohexyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-fluorophenyl)-3-(6-keto-6-methoxy-hexyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H25FN2O4S MolecularWeight: 408.486903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CCCCCC(=O)OC)C2=CC(=CC=C2)F)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CCCCCC(=O)OC)C2=CC(=CC=C2)F)C(=O)OC

InChI

InChI=1S/C20H25FN2O4S/c1-13-17(19(25)27-3)18(14-8-7-9-15(21)12-14)22-20(28)23(13)11-6-4-5-10-16(24)26-2/h7-9,12,18H,4-6,10-11H2,1-3H3,(H,22,28)/t18-/m1/s1