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

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

CCCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)C(=O)OC)C(=O)OCCOC)C

Isomeric SMILES

CCCCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)C(=O)OC)C(=O)OCCOC)C

InChI

InChI=1S/C21H28N2O5S/c1-5-6-11-23-14(2)17(20(25)28-13-12-26-3)18(22-21(23)29)15-7-9-16(10-8-15)19(24)27-4/h7-10,18H,5-6,11-13H2,1-4H3,(H,22,29)/t18-/m1/s1