ethyl 2,7-bis(N'-propan-2-ylcarbamimidoyl)thieno[3,2-e][1]benzofuran-5-carboxylate

Systemtic Name: ethyl 2,7-bis(N'-propan-2-ylcarbamimidoyl)thieno[3,2-e][1]benzofuran-5-carboxylate Openeye Name: ethyl 2,7-bis(N'-isopropylcarbamimidoyl)thieno[3,2-e]benzofuran-5-carboxylate CAS Name: 2,7-bis[amino(propan-2-ylimino)methyl]-5-thieno[3,2-e]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2,7-bis(N'-propan-2-ylcarbamimidoyl)thieno[3,2-e][1]benzofuran-5-carboxylate Traditional Name: 2,7-bis(N'-isopropylamidino)thieno[3,2-e]benzofuran-5-carboxylic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(O2)C(=NC(C)C)N)C3=C1SC(=C3)C(=NC(C)C)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(O2)C(=NC(C)C)N)C3=C1SC(=C3)C(=NC(C)C)N

InChI

InChI=1S/C21H26N4O3S/c1-6-27-21(26)14-8-15-12(7-16(28-15)19(22)24-10(2)3)13-9-17(29-18(13)14)20(23)25-11(4)5/h7-11H,6H2,1-5H3,(H2,22,24)(H2,23,25)