(4-methylphenyl)methyl 5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate

Systemtic Name: (4-methylphenyl)methyl 5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate Openeye Name: p-tolylmethyl 5,6-dimethoxy-2-(4-methoxyphenyl)benzothiophene-3-carboxylate CAS Name: 5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate Traditional Name: 5,6-dimethoxy-2-(4-methoxyphenyl)benzothiophene-3-carboxylic acid (4-methylbenzyl) ester Formula: C26H24O5S MolecularWeight: 448.53076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=C(SC3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=C(SC3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H24O5S/c1-16-5-7-17(8-6-16)15-31-26(27)24-20-13-21(29-3)22(30-4)14-23(20)32-25(24)18-9-11-19(28-2)12-10-18/h5-14H,15H2,1-4H3