propan-2-yl 2,6-dimethyl-4-(3-methylsulfanylphenyl)-5-nitro-pyridine-3-carboxylate

Systemtic Name: propan-2-yl 2,6-dimethyl-4-(3-methylsulfanylphenyl)-5-nitro-pyridine-3-carboxylate Openeye Name: isopropyl 2,6-dimethyl-4-(3-methylsulfanylphenyl)-5-nitro-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[3-(methylthio)phenyl]-5-nitro-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,6-dimethyl-4-(3-methylsulfanylphenyl)-5-nitropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-[3-(methylthio)phenyl]-5-nitro-nicotinic acid isopropyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-10(2)24-18(21)15-11(3)19-12(4)17(20(22)23)16(15)13-7-6-8-14(9-13)25-5/h6-10H,1-5H3