(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H19ClO4S MolecularWeight: 378.86976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)C

InChI

InChI=1S/C19H19ClO4S/c1-12-3-4-17(13(2)7-12)25-11-18(21)24-10-14-8-15(20)19-16(9-14)22-5-6-23-19/h3-4,7-9H,5-6,10-11H2,1-2H3