O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(sulfanylmethyl)pyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(sulfanylmethyl)pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(sulfanylmethyl)pyridine-3,5-dicarboxylate CAS Name: 2-(mercaptomethyl)-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-methyl-4-(3-nitrophenyl)-6-(sulfanylmethyl)pyridine-3,5-dicarboxylate Traditional Name: 2-(mercaptomethyl)-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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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)C)CS

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-4-26-18(22)16-13(9-27)19-10(2)14(17(21)25-3)15(16)11-6-5-7-12(8-11)20(23)24/h5-8,27H,4,9H2,1-3H3