(4-methoxyphenyl)methyl 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid p-anisyl ester Formula: C18H16O3S MolecularWeight: 312.38284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H16O3S/c1-12-15-5-3-4-6-16(15)22-17(12)18(19)21-11-13-7-9-14(20-2)10-8-13/h3-10H,11H2,1-2H3