ethyl (Z)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-thiophen-2-yl-hept-2-enoate hydroiodide

Systemtic Name: ethyl (Z)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-thiophen-2-yl-hept-2-enoate hydroiodide Openeye Name: ethyl (Z)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-(2-thienyl)hept-2-enoate hydroiodide CAS Name: (Z)-7-(carbamimidoylthio)-5-(4-fluorophenyl)-3-thiophen-2-yl-2-heptenoic acid ethyl ester hydroiodide IUPAC Name: ethyl (Z)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-thiophen-2-ylhept-2-enoate hydroiodide Traditional Name: (Z)-7-(amidinothio)-5-(4-fluorophenyl)-3-(2-thienyl)hept-2-enoic acid ethyl ester hydroiodide Formula: C20H24FIN2O2S2 MolecularWeight: 534.449633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(CC(CCSC(=N)N)C1=CC=C(C=C1)F)C2=CC=CS2.I

Isomeric SMILES

CCOC(=O)/C=C(/CC(CCSC(=N)N)C1=CC=C(C=C1)F)\C2=CC=CS2.I

InChI

InChI=1S/C20H23FN2O2S2.HI/c1-2-25-19(24)13-16(18-4-3-10-26-18)12-15(9-11-27-20(22)23)14-5-7-17(21)8-6-14;/h3-8,10,13,15H,2,9,11-12H2,1H3,(H3,22,23);1H/b16-13-;