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

Systemtic Name: 2-methoxyethyl (6R)-6-(4-methoxycarbonylphenyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3-isobutyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(4-methoxycarbonylphenyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-6-(4-methoxycarbonylphenyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(4-carbomethoxyphenyl)-3-isobutyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC(C)C)C2=CC=C(C=C2)C(=O)OC)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CC(C)C)C2=CC=C(C=C2)C(=O)OC)C(=O)OCCOC

InChI

InChI=1S/C21H28N2O5S/c1-13(2)12-23-14(3)17(20(25)28-11-10-26-4)18(22-21(23)29)15-6-8-16(9-7-15)19(24)27-5/h6-9,13,18H,10-12H2,1-5H3,(H,22,29)/t18-/m1/s1