diethyl 4-(2-ethanoylsulfanylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-ethanoylsulfanylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-acetylsulfanylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(acetylthio)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-acetylsulfanylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-(acetylthio)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC(=O)C)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC(=O)C)C(=O)OCC)C)C

InChI

InChI=1S/C21H25NO5S/c1-6-26-20(24)17-12(3)22-13(4)18(21(25)27-7-2)19(17)15-10-8-9-11-16(15)28-14(5)23/h8-11,19,22H,6-7H2,1-5H3