1-(4-fluorophenyl)ethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: 1-(4-fluorophenyl)ethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 1-(4-fluorophenyl)ethyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid 1-(4-fluorophenyl)ethyl ester IUPAC Name: 1-(4-fluorophenyl)ethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid 1-(4-fluorophenyl)ethyl ester Formula: C19H15FN2O4S2 MolecularWeight: 418.461803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H15FN2O4S2/c1-11-10-27-19(21-11)28-17-8-5-14(9-16(17)22(24)25)18(23)26-12(2)13-3-6-15(20)7-4-13/h3-10,12H,1-2H3