O5-ethyl O3-methyl 4-(3-chlorophenyl)-2-methyl-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 4-(3-chlorophenyl)-2-methyl-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 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 O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 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 O3-ethyl ester O5-methyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5S/c1-4-27-21(25)19-16(11-29-10-15-9-28-15)23-12(2)17(20(24)26-3)18(19)13-6-5-7-14(22)8-13/h5-8,15,18,23H,4,9-11H2,1-3H3