ethyl (6S)-3-ethyl-4-(furan-2-ylmethylsulfanylmethyl)-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-4-(furan-2-ylmethylsulfanylmethyl)-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-(2-furylmethylsulfanylmethyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-[(2-furanylmethylthio)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-(furan-2-ylmethylsulfanylmethyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-4-[(2-furfurylthio)methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CSCC3=CC=CO3

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)CSCC3=CC=CO3

InChI

InChI=1S/C21H24N2O4S/c1-3-23-17(14-28-13-16-11-8-12-27-16)18(20(24)26-4-2)19(22-21(23)25)15-9-6-5-7-10-15/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,25)/t19-/m0/s1