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

Systemtic Name: O5-ethyl O3-methyl 1-(2-formamidoethylsulfanyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 1-(2-formamidoethylsulfanyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(2-formamidoethylthio)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 1-(2-formamidoethylsulfanyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(2-formamidoethylthio)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-4-30-19(25)16-11-22(31-9-8-21-12-24)13(2)17(20(26)29-3)18(16)14-6-5-7-15(10-14)23(27)28/h5-7,10-12,18H,4,8-9H2,1-3H3,(H,21,24)