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

Systemtic Name: ditert-butyl 2,6-dimethyl-4-(2-methylsulfinylethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-(2-methylsulfinylethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-methylsulfinylethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-(2-methylsulfinylethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-methylsulfinylethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-12-15(17(22)25-19(3,4)5)14(10-11-27(9)24)16(13(2)21-12)18(23)26-20(6,7)8/h14,21H,10-11H2,1-9H3