O-(2-hydroxyethyl) 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioate

Systemtic Name: O-(2-hydroxyethyl) 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioate Openeye Name: O-(2-hydroxyethyl) 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioate CAS Name: 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioic acid O-(2-hydroxyethyl) ester IUPAC Name: O-(2-hydroxyethyl) 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioate Traditional Name: 4-(2-fluorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioic acid O-(2-hydroxyethyl) ester Formula: C16H17FN2O4S MolecularWeight: 352.380583

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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(=S)OCCO

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O4S/c1-9-13(16(24)23-8-7-20)14(11-5-3-4-6-12(11)17)15(19(21)22)10(2)18-9/h3-6,14,18,20H,7-8H2,1-2H3