1,3-benzodioxol-5-yl 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid 1,3-benzodioxol-5-yl ester Formula: C24H18O5S MolecularWeight: 418.46172

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C24H18O5S/c25-24(28-17-10-11-21-22(12-17)27-15-26-21)23-19(18-8-4-5-9-20(18)29-23)14-30-13-16-6-2-1-3-7-16/h1-12H,13-15H2