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

Systemtic Name: (E)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-thiophen-2-yl-hept-2-enoate hydroiodide Openeye Name: (E)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-(2-thienyl)hept-2-enoate hydroiodide CAS Name: (E)-7-(carbamimidoylthio)-5-(4-fluorophenyl)-3-thiophen-2-yl-2-heptenoate hydroiodide IUPAC Name: (E)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-thiophen-2-ylhept-2-enoate hydroiodide Traditional Name: (E)-7-(amidinothio)-5-(4-fluorophenyl)-3-(2-thienyl)hept-2-enoate hydroiodide Formula: C18H19FIN2O2S2- MolecularWeight: 505.388533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=CC(=O)[O-])CC(CCSC(=N)N)C2=CC=C(C=C2)F.I

Isomeric SMILES

C1=CSC(=C1)/C(=C/C(=O)[O-])/CC(CCSC(=N)N)C2=CC=C(C=C2)F.I

InChI

InChI=1S/C18H19FN2O2S2.HI/c19-15-5-3-12(4-6-15)13(7-9-25-18(20)21)10-14(11-17(22)23)16-2-1-8-24-16;/h1-6,8,11,13H,7,9-10H2,(H3,20,21)(H,22,23);1H/p-1/b14-11+;