undecyl 1-ethanoylsulfanyl-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate

Systemtic Name: undecyl 1-ethanoylsulfanyl-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate Openeye Name: undecyl 1-acetylsulfanyl-4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylate CAS Name: 1-(acetylthio)-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylic acid undecyl ester IUPAC Name: undecyl 1-acetylsulfanyl-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate Traditional Name: 1-(acetylthio)-4-(2-benzoxyphenyl)-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid undecyl ester Formula: C34H44N2O6S MolecularWeight: 608.78796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])C)SC(=O)C)C

Isomeric SMILES

CCCCCCCCCCCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])C)SC(=O)C)C

InChI

InChI=1S/C34H44N2O6S/c1-5-6-7-8-9-10-11-12-18-23-41-34(38)31-25(2)35(43-27(4)37)26(3)33(36(39)40)32(31)29-21-16-17-22-30(29)42-24-28-19-14-13-15-20-28/h13-17,19-22,32H,5-12,18,23-24H2,1-4H3