diethyl 2-(ethoxy-methoxy-methylsulfanyl-methyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(ethoxy-methoxy-methylsulfanyl-methyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(ethoxy-methoxy-methylsulfanyl-methyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[ethoxy-methoxy-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(ethoxy-methoxy-methylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[ethoxy-methoxy-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H30N2O8S MolecularWeight: 494.5579

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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)(OCC)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O8S/c1-7-31-21(26)17-14(4)24-20(23(30-5,34-6)33-9-3)19(22(27)32-8-2)18(17)15-11-10-12-16(13-15)25(28)29/h10-13,18,24H,7-9H2,1-6H3