methyl 5-cyano-6-(2,2-dimethylpropanoyloxymethylsulfanyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-6-(2,2-dimethylpropanoyloxymethylsulfanyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-(2,2-dimethylpropanoyloxymethylsulfanyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[(2,2-dimethyl-1-oxopropoxy)methylthio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-(2,2-dimethylpropanoyloxymethylsulfanyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-4-phenyl-6-(pivaloyloxymethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCOC(=O)C(C)(C)C)C#N)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCOC(=O)C(C)(C)C)C#N)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-13-16(19(24)26-5)17(14-9-7-6-8-10-14)15(11-22)18(23-13)28-12-27-20(25)21(2,3)4/h6-10,17,23H,12H2,1-5H3