dimethyl 1-(4-butylsulfanylphenyl)-4-(4-chloranyl-3-nitro-phenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(4-butylsulfanylphenyl)-4-(4-chloranyl-3-nitro-phenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(4-butylsulfanylphenyl)-4-(4-chloro-3-nitro-phenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[4-(butylthio)phenyl]-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-butylsulfanylphenyl)-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[4-(butylthio)phenyl]-4-(4-chloro-3-nitro-phenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C27H29ClN2O6S MolecularWeight: 545.04696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)N2C(=C(C(C(=C2C)C(=O)OC)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCCCSC1=CC=C(C=C1)N2C(=C(C(C(=C2C)C(=O)OC)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C27H29ClN2O6S/c1-6-7-14-37-20-11-9-19(10-12-20)29-16(2)23(26(31)35-4)25(24(17(29)3)27(32)36-5)18-8-13-21(28)22(15-18)30(33)34/h8-13,15,25H,6-7,14H2,1-5H3