diethyl 2-[3-(aminomethylsulfanyl)pentan-3-yl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[3-(aminomethylsulfanyl)pentan-3-yl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[1-(aminomethylsulfanyl)-1-ethyl-propyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-(aminomethylthio)pentan-3-yl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[3-(aminomethylsulfanyl)pentan-3-yl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[1-(aminomethylthio)-1-ethyl-propyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)SCN

Isomeric SMILES

CCC(CC)(C1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)SCN

InChI

InChI=1S/C24H33N3O6S/c1-6-24(7-2,34-14-25)21-20(23(29)33-9-4)19(16-11-10-12-17(13-16)27(30)31)18(15(5)26-21)22(28)32-8-3/h10-13,19,26H,6-9,14,25H2,1-5H3