diethyl 4-(3-chlorophenyl)-2-methyl-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(3-chlorophenyl)-2-methyl-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-chlorophenyl)-2-methyl-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-chlorophenyl)-2-methyl-6-[(2-oxiranylmethylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-chlorophenyl)-2-methyl-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-chlorophenyl)-2-[(glycidylthio)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26ClNO5S MolecularWeight: 451.96354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)CSCC3CO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)CSCC3CO3)C

InChI

InChI=1S/C22H26ClNO5S/c1-4-27-21(25)18-13(3)24-17(12-30-11-16-10-29-16)20(22(26)28-5-2)19(18)14-7-6-8-15(23)9-14/h6-9,16,19,24H,4-5,10-12H2,1-3H3