1,3-benzodioxol-5-yl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid 1,3-benzodioxol-5-yl ester Formula: C18H14O5S MolecularWeight: 342.36576

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14O5S/c1-24-9-13-12-4-2-3-5-14(12)23-17(13)18(19)22-11-6-7-15-16(8-11)21-10-20-15/h2-8H,9-10H2,1H3