(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C22H18Cl2O4S MolecularWeight: 449.34692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)Cl)OC1

InChI

InChI=1S/C22H18Cl2O4S/c23-16-6-1-4-15-5-2-7-19(21(15)16)29-13-20(25)28-12-14-10-17(24)22-18(11-14)26-8-3-9-27-22/h1-2,4-7,10-11H,3,8-9,12-13H2