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

Systemtic Name: (2-cyanophenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-cyanophenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-cyanophenyl) ester Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=CC=C3C#N

InChI

InChI=1S/C16H13NO2S/c17-10-12-6-1-3-7-13(12)19-16(18)15-9-11-5-2-4-8-14(11)20-15/h1,3,6-7,9H,2,4-5,8H2