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

Systemtic Name: O5-ethyl O3-methyl 2-(2-acetamidoethylsulfanyl)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(2-acetamidoethylsulfanyl)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-(2-acetamidoethylthio)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(2-acetamidoethylsulfanyl)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-(2-acetamidoethylthio)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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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)SCCNC(=O)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-6-32-22(28)17-13(2)24(4)20(33-11-10-23-14(3)26)19(21(27)31-5)18(17)15-8-7-9-16(12-15)25(29)30/h7-9,12,18H,6,10-11H2,1-5H3,(H,23,26)