ditert-butyl 2,6-dimethyl-4-(2-methylsulfanylethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-(2-methylsulfanylethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-(2-methylsulfanylethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[2-(methylthio)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-(2-methylsulfanylethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[2-(methylthio)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)CCSC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)CCSC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H33NO4S/c1-12-15(17(22)24-19(3,4)5)14(10-11-26-9)16(13(2)21-12)18(23)25-20(6,7)8/h14,21H,10-11H2,1-9H3