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

Systemtic Name: cyclopentyl 6-methyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclopentyl 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[4-(methylthio)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclopentyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-11-15(17(21)23-13-5-3-4-6-13)16(20-18(22)19-11)12-7-9-14(24-2)10-8-12/h7-10,13,16H,3-6H2,1-2H3,(H2,19,20,22)