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

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

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C19H22N2O5S/c1-4-25-18(23)17-12(2)20-19(24)21-15(17)11-26-16(22)10-7-13-5-8-14(27-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H2,20,21,24)/b10-7+/t12-/m0/s1