ethyl 5-bromanyl-3-(carbamimidoylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(carbamimidoylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(carbamimidoylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(carbamimidoylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(carbamimidoylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(amidinothio)methyl]-5-bromo-coumarilic acid ethyl ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC(=N)N

InChI

InChI=1S/C13H13BrN2O3S/c1-2-18-12(17)11-9(6-20-13(15)16)8-5-7(14)3-4-10(8)19-11/h3-5H,2,6H2,1H3,(H3,15,16)