(phenylmethyl) (4R)-6-methyl-4-[4-(2-methylpropoxy)-3-oxidanyl-phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) (4R)-6-methyl-4-[4-(2-methylpropoxy)-3-oxidanyl-phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (4R)-4-(3-hydroxy-4-isobutoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[3-hydroxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-[3-hydroxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-hydroxy-4-isobutoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-14(2)12-28-19-10-9-17(11-18(19)26)21-20(15(3)24-23(30)25-21)22(27)29-13-16-7-5-4-6-8-16/h4-11,14,21,26H,12-13H2,1-3H3,(H2,24,25,30)/t21-/m1/s1