ethyl 5-bromanyl-3-[(N'-ethylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(N'-ethylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(N'-ethylcarbamimidoyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[amino(ethylimino)methyl]thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(N'-ethylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(N'-ethylamidino)thio]methyl]coumarilic acid ethyl ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N)SCC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCN=C(N)SCC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C15H17BrN2O3S/c1-3-18-15(17)22-8-11-10-7-9(16)5-6-12(10)21-13(11)14(19)20-4-2/h5-7H,3-4,8H2,1-2H3,(H2,17,18)