diethyl 4-[2-(acetyloxymethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[2-(acetyloxymethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[2-(acetoxymethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(acetyloxymethylthio)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[2-(acetyloxymethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-(acetoxymethylthio)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SCOC(=O)C)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SCOC(=O)C)C(=O)OCC)C)C

InChI

InChI=1S/C22H27NO6S/c1-6-27-21(25)18-13(3)23-14(4)19(22(26)28-7-2)20(18)16-10-8-9-11-17(16)30-12-29-15(5)24/h8-11,20,23H,6-7,12H2,1-5H3