dimethyl 4-[2-(1,3-dithian-2-yl)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-[2-(1,3-dithian-2-yl)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[2-(1,3-dithian-2-yl)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(1,3-dithian-2-yl)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-(1,3-dithian-2-yl)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-(1,3-dithian-2-yl)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])C3SCCCS3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])C3SCCCS3)C(=O)OC

InChI

InChI=1S/C21H24N2O6S2/c1-11-16(19(24)28-3)18(17(12(2)22-11)20(25)29-4)15-10-13(23(26)27)6-7-14(15)21-30-8-5-9-31-21/h6-7,10,18,21-22H,5,8-9H2,1-4H3