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

Systemtic Name: ethyl 5-bromanyl-3-[(N'-prop-2-enylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(N'-allylcarbamimidoyl)sulfanylmethyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 3-[[[amino(prop-2-enylimino)methyl]thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(N'-prop-2-enylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(N'-allylamidino)thio]methyl]-5-bromo-coumarilic acid ethyl ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3S/c1-3-7-19-16(18)23-9-12-11-8-10(17)5-6-13(11)22-14(12)15(20)21-4-2/h3,5-6,8H,1,4,7,9H2,2H3,(H2,18,19)