diethyl 1,2-dimethyl-4-(3-nitrophenyl)-6-(2-phenoxyethanoylsulfanyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1,2-dimethyl-4-(3-nitrophenyl)-6-(2-phenoxyethanoylsulfanyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1,2-dimethyl-4-(3-nitrophenyl)-6-(2-phenoxyacetyl)sulfanyl-4H-pyridine-3,5-dicarboxylate CAS Name: 1,2-dimethyl-4-(3-nitrophenyl)-6-[(1-oxo-2-phenoxyethyl)thio]-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,2-dimethyl-4-(3-nitrophenyl)-6-(2-phenoxyacetyl)sulfanyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1,2-dimethyl-4-(3-nitrophenyl)-6-[(2-phenoxyacetyl)thio]-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H28N2O8S MolecularWeight: 540.58482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)SC(=O)COC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)SC(=O)COC3=CC=CC=C3)C)C

InChI

InChI=1S/C27H28N2O8S/c1-5-35-26(31)22-17(3)28(4)25(38-21(30)16-37-20-13-8-7-9-14-20)24(27(32)36-6-2)23(22)18-11-10-12-19(15-18)29(33)34/h7-15,23H,5-6,16H2,1-4H3