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

Systemtic Name: methyl (4R)-6-methyl-4-[4-(2-methylpropoxy)-3-oxidanyl-phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-9(2)8-23-13-6-5-11(7-12(13)20)15-14(16(21)22-4)10(3)18-17(24)19-15/h5-7,9,15,20H,8H2,1-4H3,(H2,18,19,24)/t15-/m1/s1