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

Systemtic Name: diethyl 2-[ethoxycarbonyloxy(methylsulfanyl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[ethoxycarbonyloxy(methylsulfanyl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[ethoxycarbonyloxy-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[ethoxycarbonyloxy(methylsulfanyl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[carbethoxyoxy-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H28N2O9S MolecularWeight: 508.54142

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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(OC(=O)OCC)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O9S/c1-6-31-20(26)16-13(4)24-19(22(35-5)34-23(28)33-8-3)18(21(27)32-7-2)17(16)14-10-9-11-15(12-14)25(29)30/h9-12,17,22,24H,6-8H2,1-5H3