(4,5-dimethoxy-2-methyl-phenyl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C22H21ClO4S MolecularWeight: 416.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)OC)OC

InChI

InChI=1S/C22H21ClO4S/c1-14-10-18(25-2)19(26-3)11-16(14)12-27-21(24)13-28-20-9-5-7-15-6-4-8-17(23)22(15)20/h4-11H,12-13H2,1-3H3