3-ethanoylsulfanylpropyl 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 3-ethanoylsulfanylpropyl 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 3-acetylsulfanylpropyl 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 3-(acetylthio)propyl ester IUPAC Name: 3-acetylsulfanylpropyl 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 3-(acetylthio)propyl ester Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2F)C(=O)OCCCSC(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2F)C(=O)OCCCSC(=O)C

InChI

InChI=1S/C19H21FN2O5S/c1-11-16(19(24)27-9-6-10-28-13(3)23)17(14-7-4-5-8-15(14)20)18(22(25)26)12(2)21-11/h4-5,7-8,17,21H,6,9-10H2,1-3H3