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

Systemtic Name: ethyl 5-bromanyl-3-[(N'-propan-2-ylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(N'-isopropylcarbamimidoyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[amino(propan-2-ylimino)methyl]thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(N'-propan-2-ylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(N'-isopropylamidino)thio]methyl]coumarilic acid ethyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O3S/c1-4-21-15(20)14-12(8-23-16(18)19-9(2)3)11-7-10(17)5-6-13(11)22-14/h5-7,9H,4,8H2,1-3H3,(H2,18,19)