(4-methylsulfanylphenyl)methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [4-(methylthio)benzyl] ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H18O5S/c1-20-15-9-13(10-16-17(15)22-8-7-21-16)18(19)23-11-12-3-5-14(24-2)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3