ethyl (4S)-6-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(E)-3-(4-cyanophenyl)acryloyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C=CC2=CC=C(C=C2)C#N)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)/C=C/C2=CC=C(C=C2)C#N)C(=O)OCC

InChI

InChI=1S/C20H21N3O5/c1-3-15-18(19(25)27-4-2)16(23-20(26)22-15)12-28-17(24)10-9-13-5-7-14(11-21)8-6-13/h5-10,15H,3-4,12H2,1-2H3,(H2,22,23,26)/b10-9+/t15-/m0/s1