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

Systemtic Name: methyl (6R)-3-cyclopentyl-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H21FN2O2S MolecularWeight: 348.434943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O2S/c1-11-15(17(22)23-2)16(12-6-5-7-13(19)10-12)20-18(24)21(11)14-8-3-4-9-14/h5-7,10,14,16H,3-4,8-9H2,1-2H3,(H,20,24)/t16-/m1/s1