[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC

InChI

InChI=1S/C17H20N2O5S/c1-3-8-18-17(22)19-14(20)9-23-16(21)15-12(10-25-2)11-6-4-5-7-13(11)24-15/h4-7H,3,8-10H2,1-2H3,(H2,18,19,20,22)