quinolin-8-yl 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]ethanoate

Systemtic Name: quinolin-8-yl 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]ethanoate Openeye Name: 8-quinolyl 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetate CAS Name: 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetate Traditional Name: 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetic acid 8-quinolyl ester Formula: C18H11F3N2O5S MolecularWeight: 424.35055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)CS(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)C[S@](=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C18H11F3N2O5S/c19-18(20,21)12-6-7-15(13(9-12)23(25)26)29(27)10-16(24)28-14-5-1-3-11-4-2-8-22-17(11)14/h1-9H,10H2/t29-/m0/s1