methyl 5-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-2-methyl-furan-3-carboxylate CAS Name: 5-[(1,3-benzodioxol-5-ylmethylthio)methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-2-methylfuran-3-carboxylate Traditional Name: 2-methyl-5-[(piperonylthio)methyl]furan-3-carboxylic acid methyl ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H16O5S/c1-10-13(16(17)18-2)6-12(21-10)8-22-7-11-3-4-14-15(5-11)20-9-19-14/h3-6H,7-9H2,1-2H3