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

Systemtic Name: ethyl (4S)-6-[(2-ethoxypyridin-3-yl)carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(2-ethoxypyridine-3-carbonyl)oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(2-ethoxy-3-pyridinyl)-oxomethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(2-ethoxypyridine-3-carbonyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(2-ethoxynicotinoyl)oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC2=C(C(NC(=O)N2)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC2=C([C@H](NC(=O)N2)C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C20H21N3O6S/c1-3-27-17-12(7-5-9-21-17)18(24)29-11-13-15(19(25)28-4-2)16(23-20(26)22-13)14-8-6-10-30-14/h5-10,16H,3-4,11H2,1-2H3,(H2,22,23,26)/t16-/m1/s1