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

Systemtic Name: ethyl (E)-7-carbamimidoylsulfanyl-3-[4-(4-chloranylphenoxy)phenyl]hept-2-enoate Openeye Name: ethyl (E)-7-carbamimidoylsulfanyl-3-[4-(4-chlorophenoxy)phenyl]hept-2-enoate CAS Name: (E)-7-(carbamimidoylthio)-3-[4-(4-chlorophenoxy)phenyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-carbamimidoylsulfanyl-3-[4-(4-chlorophenoxy)phenyl]hept-2-enoate Traditional Name: (E)-7-(amidinothio)-3-[4-(4-chlorophenoxy)phenyl]hept-2-enoic acid ethyl ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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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)Cl

Isomeric SMILES

CCOC(=O)/C=C(\CCCCSC(=N)N)/C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClN2O3S/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)/b17-15+