dimethyl 4-(2-chlorophenyl)-2-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(2-chlorophenyl)-2-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2-chlorophenyl)-2-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-chlorophenyl)-2-methyl-6-[(2-pyrimidinylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2-chlorophenyl)-2-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-chlorophenyl)-2-methyl-6-[(2-pyrimidylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC2=NC=CC=N2)C(=O)OC)C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC2=NC=CC=N2)C(=O)OC)C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C21H20ClN3O4S/c1-12-16(19(26)28-2)17(13-7-4-5-8-14(13)22)18(20(27)29-3)15(25-12)11-30-21-23-9-6-10-24-21/h4-10,17,25H,11H2,1-3H3