diethyl 2-(chloromethyl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(chloromethyl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(chloromethyl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(chloromethyl)-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(chloromethyl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(chloromethyl)-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC)C(=O)OCC)CCl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC)C(=O)OCC)CCl)C

InChI

InChI=1S/C20H24ClNO4S/c1-5-25-19(23)16-12(3)22-14(11-21)18(20(24)26-6-2)17(16)13-9-7-8-10-15(13)27-4/h7-10,17,22H,5-6,11H2,1-4H3