O5-ethyl O3-methyl 3-methyl-4-(2-nitrophenyl)-2-(2-oxidanylidenepentylsulfanylmethyl)-2,6-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 3-methyl-4-(2-nitrophenyl)-2-(2-oxidanylidenepentylsulfanylmethyl)-2,6-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 3-methyl-4-(2-nitrophenyl)-2-(2-oxopentylsulfanylmethyl)-2,6-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 3-methyl-4-(2-nitrophenyl)-2-[(2-oxopentylthio)methyl]-2,6-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 3-methyl-4-(2-nitrophenyl)-2-(2-oxopentylsulfanylmethyl)-2,6-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 2-[(2-ketopentylthio)methyl]-3-methyl-4-(2-nitrophenyl)-2,6-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CSCC1C(C(=C(CN1)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-])(C)C(=O)OC

Isomeric SMILES

CCCC(=O)CSCC1C(C(=C(CN1)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-])(C)C(=O)OC

InChI

InChI=1S/C23H30N2O7S/c1-5-9-15(26)13-33-14-19-23(3,22(28)31-4)20(17(12-24-19)21(27)32-6-2)16-10-7-8-11-18(16)25(29)30/h7-8,10-11,19,24H,5-6,9,12-14H2,1-4H3