(4-methylsulfinylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (4-methylsulfinylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-methylsulfinylphenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylsulfinylphenyl)methyl ester IUPAC Name: (4-methylsulfinylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylsulfinylbenzyl) ester Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(C=C2)S(=O)C

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(C=C2)S(=O)C

InChI

InChI=1S/C14H16N2O3S2/c1-9-12(7-15-14(20)16-9)13(17)19-8-10-3-5-11(6-4-10)21(2)18/h3-6H,7-8H2,1-2H3,(H2,15,16,20)