ethyl (4R)-2-oxidanylidene-6-(3-phenoxypropanoyloxymethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-2-oxidanylidene-6-(3-phenoxypropanoyloxymethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-oxo-6-(3-phenoxypropanoyloxymethyl)-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-2-oxo-6-[(1-oxo-3-phenoxypropoxy)methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-oxo-6-(3-phenoxypropanoyloxymethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-(3-phenoxypropanoyloxymethyl)-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)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)COC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S/c1-2-27-20(25)18-15(22-21(26)23-19(18)16-9-6-12-30-16)13-29-17(24)10-11-28-14-7-4-3-5-8-14/h3-9,12,19H,2,10-11,13H2,1H3,(H2,22,23,26)/t19-/m0/s1