ethyl 4-ethyl-6-methyl-2-(4-nitrophenyl)-5-phenethylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-ethyl-6-methyl-2-(4-nitrophenyl)-5-phenethylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-ethyl-6-methyl-2-(4-nitrophenyl)-5-phenethylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-ethyl-6-methyl-2-(4-nitrophenyl)-5-[oxo-(phenethylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-6-methyl-2-(4-nitrophenyl)-5-phenethylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-ethyl-6-methyl-2-(4-nitrophenyl)-5-(phenethylthio)carbonyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)SCCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O5S/c1-4-21-22(26(30)34-16-15-18-9-7-6-8-10-18)17(3)27-24(23(21)25(29)33-5-2)19-11-13-20(14-12-19)28(31)32/h6-14,21,27H,4-5,15-16H2,1-3H3