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

Systemtic Name: ethyl 5-bromanyl-3-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[ethylamino(ethylimino)methyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(N,N'-diethylamidino)thio]methyl]coumarilic acid ethyl ester Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCNC(=NCC)SCC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C17H21BrN2O3S/c1-4-19-17(20-5-2)24-10-13-12-9-11(18)7-8-14(12)23-15(13)16(21)22-6-3/h7-9H,4-6,10H2,1-3H3,(H,19,20)