ethyl 3-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(2-amino-2-oxo-ethyl)sulfanylbenzoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[[2-[(2-amino-2-oxoethyl)thio]phenyl]-oxomethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-[(2-amino-2-keto-ethyl)thio]benzoyl]oxymethyl]coumarilic acid ethyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H19NO6S/c1-2-26-21(25)19-15(13-7-3-5-9-16(13)28-19)11-27-20(24)14-8-4-6-10-17(14)29-12-18(22)23/h3-10H,2,11-12H2,1H3,(H2,22,23)