2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid 2-phthalimidoethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17NO5S/c1-28-12-16-13-6-4-5-9-17(13)27-18(16)21(25)26-11-10-22-19(23)14-7-2-3-8-15(14)20(22)24/h2-9H,10-12H2,1H3