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

Systemtic Name: ethyl 5-bromanyl-3-[[N'-(2-methoxyethyl)carbamimidoyl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[N'-(2-methoxyethyl)carbamimidoyl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[amino(2-methoxyethylimino)methyl]thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[N'-(2-methoxyethyl)carbamimidoyl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[N'-(2-methoxyethyl)amidino]thio]methyl]coumarilic acid ethyl ester Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O4S/c1-3-22-15(20)14-12(9-24-16(18)19-6-7-21-2)11-8-10(17)4-5-13(11)23-14/h4-5,8H,3,6-7,9H2,1-2H3,(H2,18,19)