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

Systemtic Name: (4-methylsulfonylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-methylsulfonylphenyl)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-methylsulfonylphenyl)methyl ester IUPAC Name: (4-methylsulfonylphenyl)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-mesylbenzyl) ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S2/c1-9-12(7-15-14(21)16-9)13(17)20-8-10-3-5-11(6-4-10)22(2,18)19/h3-6H,7-8H2,1-2H3,(H2,15,16,21)