O5-ethyl O3-methyl 2-ethylsulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate; methanamide

Systemtic Name: O5-ethyl O3-methyl 2-ethylsulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate; methanamide Openeye Name: O5-ethyl O3-methyl 2-ethylsulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate; formamide CAS Name: 2-(ethylthio)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester; formamide IUPAC Name: 5-O-ethyl 3-O-methyl 2-ethylsulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate; formamide Traditional Name: 2-(ethylthio)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester; formamide Formula: C21H27N3O7S MolecularWeight: 465.51998

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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)OC)SCC)C)C.C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)SCC)C)C.C(=O)N

InChI

InChI=1S/C20H24N2O6S.CH3NO/c1-6-28-20(24)15-12(3)21(4)18(29-7-2)17(19(23)27-5)16(15)13-9-8-10-14(11-13)22(25)26;2-1-3/h8-11,16H,6-7H2,1-5H3;1H,(H2,2,3)