ethyl (4R)-2-oxidanylidene-6-[[(2S)-2-phenoxypropanoyl]oxymethyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-2-oxidanylidene-6-[[(2S)-2-phenoxypropanoyl]oxymethyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-oxo-6-[[(2S)-2-phenoxypropanoyl]oxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-2-oxo-6-[[(2S)-1-oxo-2-phenoxypropoxy]methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-oxo-6-[[(2S)-2-phenoxypropanoyl]oxymethyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-[[(2S)-2-phenoxypropanoyl]oxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)COC(=O)[C@H](C)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S/c1-3-27-20(25)17-15(22-21(26)23-18(17)16-10-7-11-30-16)12-28-19(24)13(2)29-14-8-5-4-6-9-14/h4-11,13,18H,3,12H2,1-2H3,(H2,22,23,26)/t13-,18-/m0/s1