diethyl 2-methyl-6-[methylsulfanyl(oxidanyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-6-[methylsulfanyl(oxidanyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[hydroxy(methylsulfanyl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[hydroxy-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[hydroxy(methylsulfanyl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[hydroxy-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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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)C(O)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S/c1-5-28-18(23)14-11(3)21-17(20(25)30-4)16(19(24)29-6-2)15(14)12-8-7-9-13(10-12)22(26)27/h7-10,15,20-21,25H,5-6H2,1-4H3