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

Systemtic Name: dimethyl 4-[2-(4-azanylbutylsulfanyl)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[2-(4-aminobutylsulfanyl)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(4-aminobutylthio)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-(4-aminobutylsulfanyl)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-(4-aminobutylthio)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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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-])SCCCCN)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-12-17(20(25)29-3)19(18(13(2)23-12)21(26)30-4)15-11-14(24(27)28)7-8-16(15)31-10-6-5-9-22/h7-8,11,19,23H,5-6,9-10,22H2,1-4H3