dimethyl 2-(3-ethoxy-3-oxidanylidene-1-phenylsulfanyl-propyl)pyrimidine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(3-ethoxy-3-oxidanylidene-1-phenylsulfanyl-propyl)pyrimidine-4,5-dicarboxylate Openeye Name: dimethyl 2-(3-ethoxy-3-oxo-1-phenylsulfanyl-propyl)pyrimidine-4,5-dicarboxylate CAS Name: 2-[3-ethoxy-3-oxo-1-(phenylthio)propyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-ethoxy-3-oxo-1-phenylsulfanylpropyl)pyrimidine-4,5-dicarboxylate Traditional Name: 2-[3-ethoxy-3-keto-1-(phenylthio)propyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=NC=C(C(=N1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(C1=NC=C(C(=N1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O6S/c1-4-27-15(22)10-14(28-12-8-6-5-7-9-12)17-20-11-13(18(23)25-2)16(21-17)19(24)26-3/h5-9,11,14H,4,10H2,1-3H3