diethyl 2-(hexylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(hexylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(hexylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(hexylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(hexylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(hexylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCSCC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C25H34N2O6S/c1-5-8-9-10-14-34-16-20-23(25(29)33-7-3)22(18-12-11-13-19(15-18)27(30)31)21(17(4)26-20)24(28)32-6-2/h11-13,15,22,26H,5-10,14,16H2,1-4H3