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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)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-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17ClO5S MolecularWeight: 380.84258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C18H17ClO5S/c1-21-15-2-4-16(5-3-15)25-10-17(20)23-9-13-7-14(19)6-12-8-22-11-24-18(12)13/h2-7H,8-11H2,1H3