(4,5-dimethoxy-2-methyl-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)OC)OC

InChI

InChI=1S/C24H21NO4S/c1-16-12-20(27-2)21(28-3)13-18(16)15-29-24(26)19-9-5-7-11-23(19)30-22-10-6-4-8-17(22)14-25/h4-13H,15H2,1-3H3