tert-butyl (4R)-4-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl (4R)-4-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4R)-4-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[4-(4-fluorobenzyl)oxy-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C24H27FN2O4S MolecularWeight: 458.545583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H27FN2O4S/c1-14-20(22(28)31-24(2,3)4)21(27-23(32)26-14)16-8-11-18(19(12-16)29-5)30-13-15-6-9-17(25)10-7-15/h6-12,21H,13H2,1-5H3,(H2,26,27,32)/t21-/m1/s1