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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O3S/c1-4-22-16(21)15-13(9-24-17(19)20-8-10(2)3)12-7-11(18)5-6-14(12)23-15/h5-7,10H,4,8-9H2,1-3H3,(H2,19,20)