diethyl 2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[(methylthio)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[(methylthio)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC)C

InChI

InChI=1S/C20H24N2O6S/c1-5-27-19(23)16-12(3)21-15(11-29-4)18(20(24)28-6-2)17(16)13-8-7-9-14(10-13)22(25)26/h7-10,17,21H,5-6,11H2,1-4H3