2-methylpropyl 4-[3-(4-chloranylphenoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-[3-(4-chloranylphenoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[3-(4-chlorophenoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-(4-chlorophenoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(4-chlorophenoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-(4-chlorophenoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(=O)OCC(C)C

InChI

InChI=1S/C22H23ClN2O3S/c1-13(2)12-27-21(26)19-14(3)24-22(29)25-20(19)15-5-4-6-18(11-15)28-17-9-7-16(23)8-10-17/h4-11,13,20H,12H2,1-3H3,(H2,24,25,29)