dimethyl 2-[2-(butylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-[2-(butylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-[2-(butylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate CAS Name: 2-[[2-(butylamino)ethylthio]methyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(butylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Traditional Name: 2-[[2-(butylamino)ethylthio]methyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCSCC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCNCCSCC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H29N3O6S/c1-5-6-10-24-11-12-33-14-18-21(23(28)32-4)20(19(15(2)25-18)22(27)31-3)16-8-7-9-17(13-16)26(29)30/h7-9,13,24H,5-6,10-12,14H2,1-4H3