(3-cyanophenyl)methyl 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C18H13NO2S MolecularWeight: 307.36632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H13NO2S/c1-12-15-7-2-3-8-16(15)22-17(12)18(20)21-11-14-6-4-5-13(9-14)10-19/h2-9H,11H2,1H3