dimethyl 6-(2-methylsulfanyl-6-oxidanylidene-1-phenyl-pyrimidin-5-yl)cyclohexa-1,3-diene-1,2-dicarboxylate

Systemtic Name: dimethyl 6-(2-methylsulfanyl-6-oxidanylidene-1-phenyl-pyrimidin-5-yl)cyclohexa-1,3-diene-1,2-dicarboxylate Openeye Name: dimethyl 6-(2-methylsulfanyl-6-oxo-1-phenyl-pyrimidin-5-yl)cyclohexa-1,3-diene-1,2-dicarboxylate CAS Name: 6-[2-(methylthio)-6-oxo-1-phenyl-5-pyrimidinyl]cyclohexa-1,3-diene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-(2-methylsulfanyl-6-oxo-1-phenylpyrimidin-5-yl)cyclohexa-1,3-diene-1,2-dicarboxylate Traditional Name: 6-[6-keto-2-(methylthio)-1-phenyl-pyrimidin-5-yl]cyclohexa-1,3-diene-1,2-dicarboxylic acid dimethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(CC=C1)C2=CN=C(N(C2=O)C3=CC=CC=C3)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(CC=C1)C2=CN=C(N(C2=O)C3=CC=CC=C3)SC)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-27-19(25)15-11-7-10-14(17(15)20(26)28-2)16-12-22-21(29-3)23(18(16)24)13-8-5-4-6-9-13/h4-9,11-12,14H,10H2,1-3H3