(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (6-chloro-4H-1,3-benzodioxin-8-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=C3C(=CC(=C2)Cl)COCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)C

InChI

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