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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-keto-2-(propylamino)ethyl] ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S/c1-3-8-17-14(18)9-20-16(19)15-12(10-22-2)11-6-4-5-7-13(11)21-15/h4-7H,3,8-10H2,1-2H3,(H,17,18)