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

Systemtic Name: 2-methoxyethyl (6R)-3-cyclopentyl-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3-cyclopentyl-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-cyclopentyl-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-3-cyclopentyl-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-cyclopentyl-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C20H25FN2O3S MolecularWeight: 392.487503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CCCC2)C3=CC(=CC=C3)F)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2CCCC2)C3=CC(=CC=C3)F)C(=O)OCCOC

InChI

InChI=1S/C20H25FN2O3S/c1-13-17(19(24)26-11-10-25-2)18(14-6-5-7-15(21)12-14)22-20(27)23(13)16-8-3-4-9-16/h5-7,12,16,18H,3-4,8-11H2,1-2H3,(H,22,27)/t18-/m1/s1