ethyl 2-[4-bromanyl-2-(carbamimidoylsulfanylmethyl)phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-bromanyl-2-(carbamimidoylsulfanylmethyl)phenoxy]ethanoate Openeye Name: ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate CAS Name: 2-[4-bromo-2-[(carbamimidoylthio)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate Traditional Name: 2-[2-[(amidinothio)methyl]-4-bromo-phenoxy]acetic acid ethyl ester Formula: C12H15BrN2O3S MolecularWeight: 347.2281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)CSC(=N)N

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)CSC(=N)N

InChI

InChI=1S/C12H15BrN2O3S/c1-2-17-11(16)6-18-10-4-3-9(13)5-8(10)7-19-12(14)15/h3-5H,2,6-7H2,1H3,(H3,14,15)