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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[(E)-1-oxo-3-(phenylthio)prop-2-enoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[(E)-3-(phenylthio)acryloyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C=CSC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)/C=C/SC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H22N2O5S/c1-3-14-17(18(23)25-4-2)15(21-19(24)20-14)12-26-16(22)10-11-27-13-8-6-5-7-9-13/h5-11,14H,3-4,12H2,1-2H3,(H2,20,21,24)/b11-10+/t14-/m0/s1