propan-2-yl 2,6-dimethyl-4-[3-(methylsulfanylmethyl)phenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: propan-2-yl 2,6-dimethyl-4-[3-(methylsulfanylmethyl)phenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: isopropyl 2,6-dimethyl-4-[3-(methylsulfanylmethyl)phenyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[3-[(methylthio)methyl]phenyl]-5-nitro-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,6-dimethyl-4-[3-(methylsulfanylmethyl)phenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-[3-[(methylthio)methyl]phenyl]-5-nitro-nicotinic acid isopropyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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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)CSC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-11(2)25-19(22)16-12(3)20-13(4)18(21(23)24)17(16)15-8-6-7-14(9-15)10-26-5/h6-9,11H,10H2,1-5H3