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

Systemtic Name: ethyl 5-bromanyl-3-[(N'-methylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(N'-methylcarbamimidoyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[amino(methylimino)methyl]thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(N'-methylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(N'-methylamidino)thio]methyl]coumarilic acid ethyl ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3S/c1-3-19-13(18)12-10(7-21-14(16)17-2)9-6-8(15)4-5-11(9)20-12/h4-6H,3,7H2,1-2H3,(H2,16,17)