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

Systemtic Name: cyclopentyl 6-methyl-4-(4-methylsulfonylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclopentyl 6-methyl-4-(4-methylsulfonylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-methylsulfonylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 6-methyl-4-(4-methylsulfonylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-mesylphenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclopentyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC3CCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC3CCCC3

InChI

InChI=1S/C18H22N2O5S/c1-11-15(17(21)25-13-5-3-4-6-13)16(20-18(22)19-11)12-7-9-14(10-8-12)26(2,23)24/h7-10,13,16H,3-6H2,1-2H3,(H2,19,20,22)