ethyl 5-(4-fluorophenyl)-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-3-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)-3-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H17FN2O4S2 MolecularWeight: 432.488383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H17FN2O4S2/c1-2-27-20(25)19-15(11-16(29-19)13-6-8-14(21)9-7-13)22-17(24)12-28-18-5-3-4-10-23(18)26/h3-11H,2,12H2,1H3,(H,22,24)