(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H17ClO5S MolecularWeight: 404.86398

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C20H17ClO5S/c1-27-11-14-13-4-2-3-5-16(13)26-18(14)20(22)25-10-12-8-15(21)19-17(9-12)23-6-7-24-19/h2-5,8-9H,6-7,10-11H2,1H3