ethyl 3-(2-ethanoylsulfanylethanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-(2-ethanoylsulfanylethanoylamino)-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(2-acetylsulfanylacetyl)amino]benzofuran-2-carboxylate CAS Name: 3-[[2-(acetylthio)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-acetylsulfanylacetyl)amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(acetylthio)acetyl]amino]coumarilic acid ethyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC(=O)C

InChI

InChI=1S/C15H15NO5S/c1-3-20-15(19)14-13(16-12(18)8-22-9(2)17)10-6-4-5-7-11(10)21-14/h4-7H,3,8H2,1-2H3,(H,16,18)