ethyl (E)-3-[4-(4-bromanylphenoxy)phenyl]-7-carbamimidoylsulfanyl-hept-2-enoate hydroiodide

Systemtic Name: ethyl (E)-3-[4-(4-bromanylphenoxy)phenyl]-7-carbamimidoylsulfanyl-hept-2-enoate hydroiodide Openeye Name: ethyl (E)-3-[4-(4-bromophenoxy)phenyl]-7-carbamimidoylsulfanyl-hept-2-enoate hydroiodide CAS Name: (E)-3-[4-(4-bromophenoxy)phenyl]-7-(carbamimidoylthio)-2-heptenoic acid ethyl ester hydroiodide IUPAC Name: ethyl (E)-3-[4-(4-bromophenoxy)phenyl]-7-carbamimidoylsulfanylhept-2-enoate hydroiodide Traditional Name: (E)-7-(amidinothio)-3-[4-(4-bromophenoxy)phenyl]hept-2-enoic acid ethyl ester hydroiodide Formula: C22H26BrIN2O3S MolecularWeight: 605.32691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(CCCCSC(=N)N)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br.I

Isomeric SMILES

CCOC(=O)/C=C(\CCCCSC(=N)N)/C1=CC=C(C=C1)OC2=CC=C(C=C2)Br.I

InChI

InChI=1S/C22H25BrN2O3S.HI/c1-2-27-21(26)15-17(5-3-4-14-29-22(24)25)16-6-10-19(11-7-16)28-20-12-8-18(23)9-13-20;/h6-13,15H,2-5,14H2,1H3,(H3,24,25);1H/b17-15+;