diethyl 1-(2-formamidoethylsulfanyl)-2,6-dimethyl-4,4-bis(3-nitrophenyl)pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1-(2-formamidoethylsulfanyl)-2,6-dimethyl-4,4-bis(3-nitrophenyl)pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-(2-formamidoethylsulfanyl)-2,6-dimethyl-4,4-bis(3-nitrophenyl)pyridine-3,5-dicarboxylate CAS Name: 1-(2-formamidoethylthio)-2,6-dimethyl-4,4-bis(3-nitrophenyl)pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(2-formamidoethylsulfanyl)-2,6-dimethyl-4,4-bis(3-nitrophenyl)pyridine-3,5-dicarboxylate Traditional Name: 1-(2-formamidoethylthio)-2,6-dimethyl-4,4-bis(3-nitrophenyl)pyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H30N4O9S MolecularWeight: 598.6242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O9S/c1-5-40-26(34)24-18(3)30(42-14-13-29-17-33)19(4)25(27(35)41-6-2)28(24,20-9-7-11-22(15-20)31(36)37)21-10-8-12-23(16-21)32(38)39/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,29,33)