(3-cyanophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H15NO2S/c18-10-12-4-3-5-13(8-12)11-20-17(19)16-9-14-6-1-2-7-15(14)21-16/h3-5,8-9H,1-2,6-7,11H2