(4-methylsulfanylphenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [4-(methylthio)benzyl] ester Formula: C19H20O6S2 MolecularWeight: 408.4885

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H20O6S2/c1-26-15-4-2-14(3-5-15)13-25-19(20)8-11-27(21,22)16-6-7-17-18(12-16)24-10-9-23-17/h2-7,12H,8-11,13H2,1H3