ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)OC)SCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)OC)SCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN2O3S/c1-4-28-21(26)19-14(2)24-22(29-13-15-5-9-17(23)10-6-15)25-20(19)16-7-11-18(27-3)12-8-16/h5-12,20H,4,13H2,1-3H3,(H,24,25)