methyl 3-(2-phenylsulfanylethanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3-(2-phenylsulfanylethanoylamino)-1-benzofuran-2-carboxylate Openeye Name: methyl 3-[(2-phenylsulfanylacetyl)amino]benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-2-(phenylthio)ethyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-phenylsulfanylacetyl)amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(phenylthio)acetyl]amino]coumarilic acid methyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H15NO4S/c1-22-18(21)17-16(13-9-5-6-10-14(13)23-17)19-15(20)11-24-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,20)