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

Systemtic Name: ethyl 5-bromanyl-3-[(N'-butylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(N'-butylcarbamimidoyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[amino(butylimino)methyl]thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(N'-butylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(N'-butylamidino)thio]methyl]coumarilic acid ethyl ester Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O3S/c1-3-5-8-20-17(19)24-10-13-12-9-11(18)6-7-14(12)23-15(13)16(21)22-4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H2,19,20)