ethyl 3-ethanoylsulfanyl-4-(2-fluorophenyl)-2,6-dimethyl-3-nitro-2,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: ethyl 3-ethanoylsulfanyl-4-(2-fluorophenyl)-2,6-dimethyl-3-nitro-2,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: ethyl 3-acetylsulfanyl-4-(2-fluorophenyl)-2,6-dimethyl-3-nitro-2,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 3-(acetylthio)-4-(2-fluorophenyl)-2,6-dimethyl-3-nitro-2,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetylsulfanyl-4-(2-fluorophenyl)-2,6-dimethyl-3-nitro-2,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 3-(acetylthio)-4-(2-fluorophenyl)-2,6-dimethyl-3-nitro-2,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester Formula: C18H21FN2O5S MolecularWeight: 396.433143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(C(C1C2=CC=CC=C2F)([N+](=O)[O-])SC(=O)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(C(C1C2=CC=CC=C2F)([N+](=O)[O-])SC(=O)C)C)C

InChI

InChI=1S/C18H21FN2O5S/c1-5-26-17(23)15-10(2)20-11(3)18(21(24)25,27-12(4)22)16(15)13-8-6-7-9-14(13)19/h6-9,11,16,20H,5H2,1-4H3